# psi4: Linking C++ and Python

## psi4

`psi4.``DASUM`()

  Python Library Documentation: built-in function DASUM in module psi4

  DASUM(...)

  > DASUM( (int)arg1, (int)arg2, (Vector)arg3, (int)arg4) -> float :

  > > docstring

  > > C++ signature :

  > > > double DASUM(int,unsigned long,boost::shared_ptr<psi::Vector>,int)

`psi4.``DAXPY`()

  Python Library Documentation: built-in function DAXPY in module psi4

  DAXPY(...)

  > DAXPY( (int)arg1, (int)arg2, (float)arg3, (Vector)arg4, (int)arg5, (Vector)arg6, (int)arg7) -> None :

  > > docstring

  > > C++ signature :

  > > > void DAXPY(int,unsigned long,double,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Vector>,int)

`psi4.``DCOPY`()

  Python Library Documentation: built-in function DCOPY in module psi4

  DCOPY(...)

  > DCOPY( (int)arg1, (int)arg2, (Vector)arg3, (int)arg4, (Vector)arg5, (int)arg6) -> None :

  > > docstring

  > > C++ signature :

  > > > void DCOPY(int,unsigned long,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Vector>,int)

`psi4.``DDOT`()

  Python Library Documentation: built-in function DDOT in module psi4

  DDOT(...)

  > DDOT( (int)arg1, (int)arg2, (Vector)arg3, (int)arg4, (Vector)arg5, (int)arg6) -> float :

  > > docstring

  > > C++ signature :

  > > > double DDOT(int,unsigned long,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Vector>,int)

`psi4.``DGBMV`()

  Python Library Documentation: built-in function DGBMV in module psi4

  DGBMV(...)

  > DGBMV( (int)arg1, (str)arg2, (int)arg3, (int)arg4, (int)arg5, (int)arg6, (float)arg7, (Matrix)arg8, (int)arg9, (Vector)arg10, (int)arg11, (float)arg12, (Vector)arg13, (int)arg14) -> None :

  > > docstring

  > > C++ signature :

  > > > void DGBMV(int,char,int,int,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int,double,boost::shared_ptr<psi::Vector>,int)

`psi4.``DGEEV`()

  Python Library Documentation: built-in function DGEEV in module psi4

  DGEEV(...)

  > DGEEV( (int)arg1, (str)arg2, (str)arg3, (int)arg4, (Matrix)arg5, (int)arg6, (Vector)arg7, (Vector)arg8, (Matrix)arg9, (int)arg10, (Matrix)arg11, (int)arg12, (Vector)arg13, (int)arg14) -> int :

  > > docstring

  > > C++ signature :

  > > > int DGEEV(int,char,char,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int)

`psi4.``DGEMM`()

  Python Library Documentation: built-in function DGEMM in module psi4

  DGEMM(...)

  > DGEMM( (int)arg1, (str)arg2, (str)arg3, (int)arg4, (int)arg5, (int)arg6, (float)arg7, (Matrix)arg8, (int)arg9, (Matrix)arg10, (int)arg11, (float)arg12, (Matrix)arg13, (int)arg14) -> None :

  > > docstring

  > > C++ signature :

  > > > void DGEMM(int,char,char,int,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Matrix>,int,double,boost::shared_ptr<psi::Matrix>,int)

`psi4.``DGEMV`()

  Python Library Documentation: built-in function DGEMV in module psi4

  DGEMV(...)

  > DGEMV( (int)arg1, (str)arg2, (int)arg3, (int)arg4, (float)arg5, (Matrix)arg6, (int)arg7, (Vector)arg8, (int)arg9, (float)arg10, (Vector)arg11, (int)arg12) -> None :

  > > docstring

  > > C++ signature :

  > > > void DGEMV(int,char,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int,double,boost::shared_ptr<psi::Vector>,int)

`psi4.``DGER`()

  Python Library Documentation: built-in function DGER in module psi4

  DGER(...)

  > DGER( (int)arg1, (int)arg2, (int)arg3, (float)arg4, (Vector)arg5, (int)arg6, (Vector)arg7, (int)arg8, (Matrix)arg9, (int)arg10) -> None :

  > > docstring

  > > C++ signature :

  > > > void DGER(int,int,int,double,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Matrix>,int)

`psi4.``DGETRF`()

  Python Library Documentation: built-in function DGETRF in module psi4

  DGETRF(...)

  > DGETRF( (int)arg1, (int)arg2, (int)arg3, (Matrix)arg4, (int)arg5, (IntVector)arg6) -> int :

  > > docstring

  > > C++ signature :

  > > > int DGETRF(int,int,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::IntVector>)

`psi4.``DGETRI`()

  Python Library Documentation: built-in function DGETRI in module psi4

  DGETRI(...)

  > DGETRI( (int)arg1, (int)arg2, (Matrix)arg3, (int)arg4, (IntVector)arg5, (Vector)arg6, (int)arg7) -> int :

  > > docstring

  > > C++ signature :

  > > > int DGETRI(int,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::IntVector>,boost::shared_ptr<psi::Vector>,int)

`psi4.``DGETRS`()

  Python Library Documentation: built-in function DGETRS in module psi4

  DGETRS(...)

  > DGETRS( (int)arg1, (str)arg2, (int)arg3, (int)arg4, (Matrix)arg5, (int)arg6, (IntVector)arg7, (Matrix)arg8, (int)arg9) -> int :

  > > docstring

  > > C++ signature :

  > > > int DGETRS(int,char,int,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::IntVector>,boost::shared_ptr<psi::Matrix>,int)

`psi4.``DNRM2`()

  Python Library Documentation: built-in function DNRM2 in module psi4

  DNRM2(...)

  > DNRM2( (int)arg1, (int)arg2, (Vector)arg3, (int)arg4) -> float :

  > > docstring

  > > C++ signature :

  > > > double DNRM2(int,unsigned long,boost::shared_ptr<psi::Vector>,int)

`psi4.``DPOTRF`()

  Python Library Documentation: built-in function DPOTRF in module psi4

  DPOTRF(...)

  > DPOTRF( (int)arg1, (str)arg2, (int)arg3, (Matrix)arg4, (int)arg5) -> int :

  > > docstring

  > > C++ signature :

  > > > int DPOTRF(int,char,int,boost::shared_ptr<psi::Matrix>,int)

`psi4.``DPOTRI`()

  Python Library Documentation: built-in function DPOTRI in module psi4

  DPOTRI(...)

  > DPOTRI( (int)arg1, (str)arg2, (int)arg3, (Matrix)arg4, (int)arg5) -> int :

  > > docstring

  > > C++ signature :

  > > > int DPOTRI(int,char,int,boost::shared_ptr<psi::Matrix>,int)

`psi4.``DPOTRS`()

  Python Library Documentation: built-in function DPOTRS in module psi4

  DPOTRS(...)

  > DPOTRS( (int)arg1, (str)arg2, (int)arg3, (int)arg4, (Matrix)arg5, (int)arg6, (Matrix)arg7, (int)arg8) -> int :

  > > docstring

  > > C++ signature :

  > > > int DPOTRS(int,char,int,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Matrix>,int)

`psi4.``DROT`()

  Python Library Documentation: built-in function DROT in module psi4

  DROT(...)

  > DROT( (int)arg1, (int)arg2, (Vector)arg3, (int)arg4, (Vector)arg5, (int)arg6, (float)arg7, (float)arg8) -> None :

  > > docstring

  > > C++ signature :

  > > > void DROT(int,unsigned long,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Vector>,int,double,double)

`psi4.``DSBMV`()

  Python Library Documentation: built-in function DSBMV in module psi4

  DSBMV(...)

  > DSBMV( (int)arg1, (str)arg2, (int)arg3, (int)arg4, (float)arg5, (Matrix)arg6, (int)arg7, (Vector)arg8, (int)arg9, (float)arg10, (Vector)arg11, (int)arg12) -> None :

  > > docstring

  > > C++ signature :

  > > > void DSBMV(int,char,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int,double,boost::shared_ptr<psi::Vector>,int)

`psi4.``DSCAL`()

  Python Library Documentation: built-in function DSCAL in module psi4

  DSCAL(...)

  > DSCAL( (int)arg1, (int)arg2, (float)arg3, (Vector)arg4, (int)arg5) -> None :

  > > docstring

  > > C++ signature :

  > > > void DSCAL(int,unsigned long,double,boost::shared_ptr<psi::Vector>,int)

`psi4.``DSWAP`()

  Python Library Documentation: built-in function DSWAP in module psi4

  DSWAP(...)

  > DSWAP( (int)arg1, (int)arg2, (Vector)arg3, (int)arg4, (Vector)arg5, (int)arg6) -> None :

  > > docstring

  > > C++ signature :

  > > > void DSWAP(int,unsigned long,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Vector>,int)

`psi4.``DSYEV`()

  Python Library Documentation: built-in function DSYEV in module psi4

  DSYEV(...)

  > DSYEV( (int)arg1, (str)arg2, (str)arg3, (int)arg4, (Matrix)arg5, (int)arg6, (Vector)arg7, (Vector)arg8, (int)arg9) -> int :

  > > docstring

  > > C++ signature :

  > > > int DSYEV(int,char,char,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,int)

`psi4.``DSYMM`()

  Python Library Documentation: built-in function DSYMM in module psi4

  DSYMM(...)

  > DSYMM( (int)arg1, (str)arg2, (str)arg3, (int)arg4, (int)arg5, (float)arg6, (Matrix)arg7, (int)arg8, (Matrix)arg9, (int)arg10, (float)arg11, (Matrix)arg12, (int)arg13) -> None :

  > > docstring

  > > C++ signature :

  > > > void DSYMM(int,char,char,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Matrix>,int,double,boost::shared_ptr<psi::Matrix>,int)

`psi4.``DSYMV`()

  Python Library Documentation: built-in function DSYMV in module psi4

  DSYMV(...)

  > DSYMV( (int)arg1, (str)arg2, (int)arg3, (float)arg4, (Matrix)arg5, (int)arg6, (Vector)arg7, (int)arg8, (float)arg9, (Vector)arg10, (int)arg11) -> None :

  > > docstring

  > > C++ signature :

  > > > void DSYMV(int,char,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int,double,boost::shared_ptr<psi::Vector>,int)

`psi4.``DSYR`()

  Python Library Documentation: built-in function DSYR in module psi4

  DSYR(...)

  > DSYR( (int)arg1, (str)arg2, (int)arg3, (float)arg4, (Vector)arg5, (int)arg6, (Matrix)arg7, (int)arg8) -> None :

  > > docstring

  > > C++ signature :

  > > > void DSYR(int,char,int,double,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Matrix>,int)

`psi4.``DSYR2`()

  Python Library Documentation: built-in function DSYR2 in module psi4

  DSYR2(...)

  > DSYR2( (int)arg1, (str)arg2, (int)arg3, (float)arg4, (Vector)arg5, (int)arg6, (Vector)arg7, (int)arg8, (Matrix)arg9, (int)arg10) -> None :

  > > docstring

  > > C++ signature :

  > > > void DSYR2(int,char,int,double,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Matrix>,int)

`psi4.``DSYR2K`()

  Python Library Documentation: built-in function DSYR2K in module psi4

  DSYR2K(...)

  > DSYR2K( (int)arg1, (str)arg2, (str)arg3, (int)arg4, (int)arg5, (float)arg6, (Matrix)arg7, (int)arg8, (Matrix)arg9, (int)arg10, (float)arg11, (Matrix)arg12, (int)arg13) -> None :

  > > docstring

  > > C++ signature :

  > > > void DSYR2K(int,char,char,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Matrix>,int,double,boost::shared_ptr<psi::Matrix>,int)

`psi4.``DSYRK`()

  Python Library Documentation: built-in function DSYRK in module psi4

  DSYRK(...)

  > DSYRK( (int)arg1, (str)arg2, (str)arg3, (int)arg4, (int)arg5, (float)arg6, (Matrix)arg7, (int)arg8, (float)arg9, (Matrix)arg10, (int)arg11) -> None :

  > > docstring

  > > C++ signature :

  > > > void DSYRK(int,char,char,int,int,double,boost::shared_ptr<psi::Matrix>,int,double,boost::shared_ptr<psi::Matrix>,int)

`psi4.``DSYSV`()

  Python Library Documentation: built-in function DSYSV in module psi4

  DSYSV(...)

  > DSYSV( (int)arg1, (str)arg2, (int)arg3, (int)arg4, (Matrix)arg5, (int)arg6, (IntVector)arg7, (Matrix)arg8, (int)arg9, (Vector)arg10, (int)arg11) -> int :

  > > docstring

  > > C++ signature :

  > > > int DSYSV(int,char,int,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::IntVector>,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int)

`psi4.``DTBMV`()

  Python Library Documentation: built-in function DTBMV in module psi4

  DTBMV(...)

  > DTBMV( (int)arg1, (str)arg2, (str)arg3, (str)arg4, (int)arg5, (int)arg6, (Matrix)arg7, (int)arg8, (Vector)arg9, (int)arg10) -> None :

  > > docstring

  > > C++ signature :

  > > > void DTBMV(int,char,char,char,int,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int)

`psi4.``DTBSV`()

  Python Library Documentation: built-in function DTBSV in module psi4

  DTBSV(...)

  > DTBSV( (int)arg1, (str)arg2, (str)arg3, (str)arg4, (int)arg5, (int)arg6, (Matrix)arg7, (int)arg8, (Vector)arg9, (int)arg10) -> None :

  > > docstring

  > > C++ signature :

  > > > void DTBSV(int,char,char,char,int,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int)

`psi4.``DTRMM`()

  Python Library Documentation: built-in function DTRMM in module psi4

  DTRMM(...)

  > DTRMM( (int)arg1, (str)arg2, (str)arg3, (str)arg4, (str)arg5, (int)arg6, (int)arg7, (float)arg8, (Matrix)arg9, (int)arg10, (Matrix)arg11, (int)arg12) -> None :

  > > docstring

  > > C++ signature :

  > > > void DTRMM(int,char,char,char,char,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Matrix>,int)

`psi4.``DTRMV`()

  Python Library Documentation: built-in function DTRMV in module psi4

  DTRMV(...)

  > DTRMV( (int)arg1, (str)arg2, (str)arg3, (str)arg4, (int)arg5, (Matrix)arg6, (int)arg7, (Vector)arg8, (int)arg9) -> None :

  > > docstring

  > > C++ signature :

  > > > void DTRMV(int,char,char,char,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int)

`psi4.``DTRSM`()

  Python Library Documentation: built-in function DTRSM in module psi4

  DTRSM(...)

  > DTRSM( (int)arg1, (str)arg2, (str)arg3, (str)arg4, (str)arg5, (int)arg6, (int)arg7, (float)arg8, (Matrix)arg9, (int)arg10, (Matrix)arg11, (int)arg12) -> None :

  > > docstring

  > > C++ signature :

  > > > void DTRSM(int,char,char,char,char,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Matrix>,int)

`psi4.``DTRSV`()

  Python Library Documentation: built-in function DTRSV in module psi4

  DTRSV(...)

  > DTRSV( (int)arg1, (str)arg2, (str)arg3, (str)arg4, (int)arg5, (Matrix)arg6, (int)arg7, (Vector)arg8, (int)arg9) -> None :

  > > docstring

  > > C++ signature :

  > > > void DTRSV(int,char,char,char,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int)

`psi4.``IDAMAX`()

  Python Library Documentation: built-in function IDAMAX in module psi4

  IDAMAX(...)

  > IDAMAX( (int)arg1, (int)arg2, (Vector)arg3, (int)arg4) -> int :

  > > docstring

  > > C++ signature :

  > > > unsigned long IDAMAX(int,unsigned long,boost::shared_ptr<psi::Vector>,int)

`psi4.``adc`()

  Python Library Documentation: built-in function adc in module psi4

  adc(...)

  > adc() -> float :

  > > Runs the ADC propagator code, for excited states.

  > > C++ signature :

  > > > double adc()

`psi4.``atomic_displacements`()

  Python Library Documentation: built-in function atomic_displacements in module psi4

  atomic_displacements(...)

  > atomic_displacements() -> matrix_vector :

  > > Returns list of displacements generated by displacing each atom in the +/- x, y, z directions

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > atomic_displacements()

`psi4.``be_quiet`()

  Python Library Documentation: built-in function be_quiet in module psi4

  be_quiet(...)

  > be_quiet() -> None :

  > > Redirects output to /dev/null. To switch back to regular output mode, use reopen_outfile()

  > > C++ signature :

  > > > void be_quiet()

`psi4.``benchmark_blas1`()

  Python Library Documentation: built-in function benchmark_blas1 in module psi4

  benchmark_blas1(...)

  > benchmark_blas1( (int)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void benchmark_blas1(int,double)

`psi4.``benchmark_blas2`()

  Python Library Documentation: built-in function benchmark_blas2 in module psi4

  benchmark_blas2(...)

  > benchmark_blas2( (int)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void benchmark_blas2(int,double)

`psi4.``benchmark_blas3`()

  Python Library Documentation: built-in function benchmark_blas3 in module psi4

  benchmark_blas3(...)

  > benchmark_blas3( (int)arg1, (float)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void benchmark_blas3(int,double,int)

`psi4.``benchmark_disk`()

  Python Library Documentation: built-in function benchmark_disk in module psi4

  benchmark_disk(...)

  > benchmark_disk( (int)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void benchmark_disk(int,double)

`psi4.``benchmark_integrals`()

  Python Library Documentation: built-in function benchmark_integrals in module psi4

  benchmark_integrals(...)

  > benchmark_integrals( (int)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void benchmark_integrals(int,double)

`psi4.``benchmark_math`()

  Python Library Documentation: built-in function benchmark_math in module psi4

  benchmark_math(...)

  > benchmark_math( (float)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void benchmark_math(double)

`psi4.``ccdensity`()

  Python Library Documentation: built-in function ccdensity in module psi4

  ccdensity(...)

  > ccdensity() -> float :

  > > Runs the code to compute coupled cluster density matrices.

  > > C++ signature :

  > > > double ccdensity()

`psi4.``ccenergy`()

  Python Library Documentation: built-in function ccenergy in module psi4

  ccenergy(...)

  > ccenergy() -> float :

  > > Runs the coupled cluster energy code.

  > > C++ signature :

  > > > double ccenergy()

`psi4.``cceom`()

  Python Library Documentation: built-in function cceom in module psi4

  cceom(...)

  > cceom() -> float :

  > > Runs the equation of motion coupled cluster code, for excited states.

  > > C++ signature :

  > > > double cceom()

`psi4.``cchbar`()

  Python Library Documentation: built-in function cchbar in module psi4

  cchbar(...)

  > cchbar() -> float :

  > > Runs the code to generate the similarity transformed Hamiltonian.

  > > C++ signature :

  > > > double cchbar()

`psi4.``cclambda`()

  Python Library Documentation: built-in function cclambda in module psi4

  cclambda(...)

  > cclambda() -> float :

  > > Runs the coupled cluster lambda equations code.

  > > C++ signature :

  > > > double cclambda()

`psi4.``ccresponse`()

  Python Library Documentation: built-in function ccresponse in module psi4

  ccresponse(...)

  > ccresponse() -> float :

  > > Runs the coupled cluster response theory code.

  > > C++ signature :

  > > > double ccresponse()

`psi4.``ccsort`()

  Python Library Documentation: built-in function ccsort in module psi4

  ccsort(...)

  > ccsort() -> float :

  > > Runs CCSORT, which reorders integrals for use in the coupled cluster codes.

  > > C++ signature :

  > > > double ccsort()

`psi4.``cctriples`()

  Python Library Documentation: built-in function cctriples in module psi4

  cctriples(...)

  > cctriples() -> float :

  > > Runs the coupled cluster (T) energy code.

  > > C++ signature :

  > > > double cctriples()

`psi4.``clean`()

  Python Library Documentation: built-in function clean in module psi4

  clean(...)

  > clean() -> None :

  > > Function to remove scratch files. Call between independent jobs.

  > > C++ signature :

  > > > void clean()

`psi4.``clean_variables`()

  Python Library Documentation: built-in function clean_variables in module psi4

  clean_variables(...)

  > clean_variables() -> None :

  > > Empties all PSI variables that have set internally.

  > > C++ signature :

  > > > void clean_variables()

`psi4.``close_outfile`()

  Python Library Documentation: built-in function close_outfile in module psi4

  close_outfile(...)

  > close_outfile() -> None :

  > > Closes the output file.

  > > C++ signature :

  > > > void close_outfile()

`psi4.``compute_shell`()

  Python Library Documentation: built-in function compute_shell in module psi4

  compute_shell(...)

  > compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :

  > > docstring

  > > C++ signature :

  > > > unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)

`psi4.``dcft`()

  Python Library Documentation: built-in function dcft in module psi4

  dcft(...)

  > dcft() -> float :

  > > Runs the density cumulant functional theory code.

  > > C++ signature :

  > > > double dcft()

`psi4.``deriv`()

  Python Library Documentation: built-in function deriv in module psi4

  deriv(...)

  > deriv() -> int :

  > > Runs deriv, which contracts density matrices with derivative integrals, to compute gradients.

  > > C++ signature :

  > > > int deriv()

`psi4.``detci`()

  Python Library Documentation: built-in function detci in module psi4

  detci(...)

  > detci() -> float :

  > > Runs the determinant-based configuration interaction code.

  > > C++ signature :

  > > > double detci()

`psi4.``dfmp2`()

  Python Library Documentation: built-in function dfmp2 in module psi4

  dfmp2(...)

  > dfmp2() -> float :

  > > Runs the DF-MP2 code.

  > > C++ signature :

  > > > double dfmp2()

`psi4.``dfmp2grad`()

  Python Library Documentation: built-in function dfmp2grad in module psi4

  dfmp2grad(...)

  > dfmp2grad() -> float :

  > > Runs the DF-MP2 gradient.

  > > C++ signature :

  > > > double dfmp2grad()

`psi4.``dfocc`()

  Python Library Documentation: built-in function dfocc in module psi4

  dfocc(...)

  > dfocc() -> float :

  > > Runs the density-fitted orbital optimized CC codes.

  > > C++ signature :

  > > > double dfocc()

`psi4.``displace_atom`()

  Python Library Documentation: built-in function displace_atom in module psi4

  displace_atom(...)

  > displace_atom( (Matrix)arg1, (int)arg2, (int)arg3, (int)arg4, (float)arg5) -> Matrix :

  > > Displaces one coordinate of single atom.

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> displace_atom(boost::shared_ptr<psi::Matrix>,int,int,int,double)

`psi4.``dmrg`()

  Python Library Documentation: built-in function dmrg in module psi4

  dmrg(...)

  > dmrg() -> float :

  > > Runs the DMRG code.

  > > C++ signature :

  > > > double dmrg()

`psi4.``efp_init`()

  Python Library Documentation: built-in function efp_init in module psi4

  efp_init(...)

  > efp_init() -> EFP :

  > > Initializes the EFP library and returns an EFP object.

  > > C++ signature :

  > > > boost::shared_ptr<psi::efp::EFP> efp_init()

`psi4.``efp_set_options`()

  Python Library Documentation: built-in function efp_set_options in module psi4

  efp_set_options(...)

  > efp_set_options() -> None :

  > > Set EFP options from environment options object.

  > > C++ signature :

  > > > void efp_set_options()

`psi4.``fd_1_0`()

  Python Library Documentation: built-in function fd_1_0 in module psi4

  fd_1_0(...)

  > fd_1_0( (list)arg1) -> PsiReturnType :

  > > Performs a finite difference gradient computation, from energy points.

  > > C++ signature :

  > > > psi::PsiReturnType fd_1_0(boost::python::list)

`psi4.``fd_freq_0`()

  Python Library Documentation: built-in function fd_freq_0 in module psi4

  fd_freq_0(...)

  > fd_freq_0( (list)arg1, (int)arg2) -> PsiReturnType :

  > > Performs a finite difference frequency computation, from energy points, for a given irrep.

  > > C++ signature :

  > > > psi::PsiReturnType fd_freq_0(boost::python::list,int)

`psi4.``fd_freq_1`()

  Python Library Documentation: built-in function fd_freq_1 in module psi4

  fd_freq_1(...)

  > fd_freq_1( (list)arg1, (int)arg2) -> PsiReturnType :

  > > Performs a finite difference frequency computation, from gradients, for a given irrep.

  > > C++ signature :

  > > > psi::PsiReturnType fd_freq_1(boost::python::list,int)

`psi4.``fd_geoms_1_0`()

  Python Library Documentation: built-in function fd_geoms_1_0 in module psi4

  fd_geoms_1_0(...)

  > fd_geoms_1_0() -> matrix_vector :

  > > Gets the list of displacements needed for a finite difference gradient computation, from energy points.

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > fd_geoms_1_0()

`psi4.``fd_geoms_freq_0`()

  Python Library Documentation: built-in function fd_geoms_freq_0 in module psi4

  fd_geoms_freq_0(...)

  > fd_geoms_freq_0( (int)arg1) -> matrix_vector :

  > > Gets the list of displacements needed for a finite difference frequency computation, from energy points, for a given irrep.

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > fd_geoms_freq_0(int)

`psi4.``fd_geoms_freq_1`()

  Python Library Documentation: built-in function fd_geoms_freq_1 in module psi4

  fd_geoms_freq_1(...)

  > fd_geoms_freq_1( (int)arg1) -> matrix_vector :

  > > Gets the list of displacements needed fof a finite difference frequency computation, from gradients, for a given irrep

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > fd_geoms_freq_1(int)

`psi4.``fd_geoms_hessian_0`()

  Python Library Documentation: built-in function fd_geoms_hessian_0 in module psi4

  fd_geoms_hessian_0(...)

  > fd_geoms_hessian_0() -> matrix_vector :

  > > Gets the list of displacements needed fof a finite difference frequency computation, from energy points.

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > fd_geoms_hessian_0()

`psi4.``fd_hessian_0`()

  Python Library Documentation: built-in function fd_hessian_0 in module psi4

  fd_hessian_0(...)

  > fd_hessian_0( (list)arg1) -> PsiReturnType :

  > > Performs a finite difference frequency computation, from energy points.

  > > C++ signature :

  > > > psi::PsiReturnType fd_hessian_0(boost::python::list)

`psi4.``fisapt`()

  Python Library Documentation: built-in function fisapt in module psi4

  fisapt(...)

  > fisapt() -> float :

  > > Runs the functional-group intramolecular symmetry adapted perturbation theory code.

  > > C++ signature :

  > > > double fisapt()

`psi4.``flush_outfile`()

  Python Library Documentation: built-in function flush_outfile in module psi4

  flush_outfile(...)

  > flush_outfile() -> None :

  > > Flushes the output file.

  > > C++ signature :

  > > > void flush_outfile()

`psi4.``fnocc`()

  Python Library Documentation: built-in function fnocc in module psi4

  fnocc(...)

  > fnocc() -> float :

  > > Runs the fno-ccsd(t)/qcisd(t)/mp4/cepa energy code

  > > C++ signature :

  > > > double fnocc()

`psi4.``get_active_efp`()

  Python Library Documentation: built-in function get_active_efp in module psi4

  get_active_efp(...)

  > get_active_efp() -> EFP :

  > > Returns the currently active EFP object.

  > > C++ signature :

  > > > boost::shared_ptr<psi::efp::EFP> get_active_efp()

`psi4.``get_active_molecule`()

  Python Library Documentation: built-in function get_active_molecule in module psi4

  get_active_molecule(...)

  > get_active_molecule() -> Molecule :

  > > Returns the currently active molecule object.

  > > C++ signature :

  > > > boost::shared_ptr<psi::Molecule> get_active_molecule()

`psi4.``get_array_variable`()

  Python Library Documentation: built-in function get_array_variable in module psi4

  get_array_variable(...)

  > get_array_variable( (str)arg1) -> Matrix :

  > > Returns one of the PSI variables set internally by the modules or python driver (see manual for full listing of variables available).

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> get_array_variable(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``get_array_variables`()

  Python Library Documentation: built-in function get_array_variables in module psi4

  get_array_variables(...)

  > get_array_variables() -> dict :

  > > Returns dictionary of the PSI variables set internally by the modules or python driver.

  > > C++ signature :

  > > > boost::python::dict get_array_variables()

`psi4.``get_atomic_point_charges`()

  Python Library Documentation: built-in function get_atomic_point_charges in module psi4

  get_atomic_point_charges(...)

  > get_atomic_point_charges() -> Vector :

  > > Returns the most recently computed atomic point charges, as a double * object.

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> get_atomic_point_charges()

`psi4.``get_efp_torque`()

  Python Library Documentation: built-in function get_efp_torque in module psi4

  get_efp_torque(...)

  > get_efp_torque() -> Matrix :

  > > Returns the most recently computed gradient for the EFP portion, as a Nefp by 6 Matrix object.

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> get_efp_torque()

`psi4.``get_frequencies`()

  Python Library Documentation: built-in function get_frequencies in module psi4

  get_frequencies(...)

  > get_frequencies() -> Vector :

  > > Returns the most recently computed frequencies, as a 3N-6 Vector object.

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> get_frequencies()

`psi4.``get_global_option`()

  Python Library Documentation: built-in function get_global_option in module psi4

  get_global_option(...)

  > get_global_option( (str)arg1) -> object :

  > > Given a string of a keyword name arg1, returns the value associated with the keyword from the global options. Returns error if keyword is not recognized.

  > > C++ signature :

  > > > boost::python::api::object get_global_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``get_global_option_list`()

  Python Library Documentation: built-in function get_global_option_list in module psi4

  get_global_option_list(...)

  > get_global_option_list() -> list :

  > > Returns a list of all global options.

  > > C++ signature :

  > > > boost::python::list get_global_option_list()

`psi4.``get_gradient`()

  Python Library Documentation: built-in function get_gradient in module psi4

  get_gradient(...)

  > get_gradient() -> Matrix :

  > > Returns the most recently computed gradient, as a N by 3 Matrix object.

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> get_gradient()

`psi4.``get_input_directory`()

  Python Library Documentation: built-in function get_input_directory in module psi4

  get_input_directory(...)

  > get_input_directory() -> str :

  > > Returns the location of the input file.

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > get_input_directory()

`psi4.``get_local_option`()

  Python Library Documentation: built-in function get_local_option in module psi4

  get_local_option(...)

  > get_local_option( (str)arg1, (str)arg2) -> object :

  > > Given a string of a keyword name arg2 and a particular module arg1, returns the value associated with the keyword in the module options scope. Returns error if keyword is not recognized for the module.

  > > C++ signature :

  > > > boost::python::api::object get_local_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``get_memory`()

  Python Library Documentation: built-in function get_memory in module psi4

  get_memory(...)

  > get_memory() -> int :

  > > Returns the amount of memory available to Psi (in bytes).

  > > C++ signature :

  > > > unsigned long get_memory()

`psi4.``get_normalmodes`()

  Python Library Documentation: built-in function get_normalmodes in module psi4

  get_normalmodes(...)

  > get_normalmodes() -> Vector :

  > > Returns the most recently computed normal modes Vector object.

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> get_normalmodes()

`psi4.``get_option`()

  Python Library Documentation: built-in function get_option in module psi4

  get_option(...)

  > get_option( (str)arg1, (str)arg2) -> object :

  > > Given a string of a keyword name arg2 and a particular module arg1, returns the local value associated with the keyword if it’s been set, else the global value if it’s been set, else the local default value. Returns error if keyword is not recognized globally or if keyword is not recognized for the module.

  > > C++ signature :

  > > > boost::python::api::object get_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``get_variable`()

  Python Library Documentation: built-in function get_variable in module psi4

  get_variable(...)

  > get_variable( (str)arg1) -> float :

  > > Returns one of the PSI variables set internally by the modules or python driver (see manual for full listing of variables available).

  > > C++ signature :

  > > > double get_variable(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``get_variables`()

  Python Library Documentation: built-in function get_variables in module psi4

  get_variables(...)

  > get_variables() -> dict :

  > > Returns dictionary of the PSI variables set internally by the modules or python driver.

  > > C++ signature :

  > > > boost::python::dict get_variables()

`psi4.``git_version`()

  Python Library Documentation: built-in function git_version in module psi4

  git_version(...)

  > git_version() -> str :

  > > Returns the git version of this copy of Psi.

  > > C++ signature :

  > > > char const* git_version()

`psi4.``has_global_option_changed`()

  Python Library Documentation: built-in function has_global_option_changed in module psi4

  has_global_option_changed(...)

  > has_global_option_changed( (str)arg1) -> bool :

  > > Returns boolean for whether the keyword arg1 has been touched in the global scope, by either user or code. Notwithstanding, code is written such that in practice, this returns whether the option has been touched in the global scope by the user.

  > > C++ signature :

  > > > bool has_global_option_changed(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``has_local_option_changed`()

  Python Library Documentation: built-in function has_local_option_changed in module psi4

  has_local_option_changed(...)

  > has_local_option_changed( (str)arg1, (str)arg2) -> bool :

  > > Returns boolean for whether the keyword arg2 has been touched in the scope of the specified module arg1, by either user or code. Notwithstanding, code is written such that in practice, this returns whether the option has been touched in the module scope by the user.

  > > C++ signature :

  > > > bool has_local_option_changed(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``has_option_changed`()

  Python Library Documentation: built-in function has_option_changed in module psi4

  has_option_changed(...)

  > has_option_changed( (str)arg1, (str)arg2) -> bool :

  > > Returns boolean for whether the option arg2 has been touched either locally to the specified module arg1 or globally, by either user or code. Notwithstanding, code is written such that in practice, this returns whether the option has been touched by the user.

  > > C++ signature :

  > > > bool has_option_changed(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``libfock`()

  Python Library Documentation: built-in function libfock in module psi4

  libfock(...)

  > libfock() -> int :

  > > Runs a CPHF calculation, using libfock.

  > > C++ signature :

  > > > int libfock()

`psi4.``lmp2`()

  Python Library Documentation: built-in function lmp2 in module psi4

  lmp2(...)

  > lmp2() -> float :

  > > Runs the local MP2 code.

  > > C++ signature :

  > > > double lmp2()

`psi4.``mcscf`()

  Python Library Documentation: built-in function mcscf in module psi4

  mcscf(...)

  > mcscf() -> float :

  > > Runs the MCSCF code, (N.B. restricted to certain active spaces).

  > > C++ signature :

  > > > double mcscf()

`psi4.``mints`()

  Python Library Documentation: built-in function mints in module psi4

  mints(...)

  > mints() -> int :

  > > Runs mints, which generate molecular integrals on disk.

  > > C++ signature :

  > > > int mints()

`psi4.``mrcc_generate_input`()

  Python Library Documentation: built-in function mrcc_generate_input in module psi4

  mrcc_generate_input(...)

  > mrcc_generate_input( (dict)arg1) -> PsiReturnType :

  > > Generates an input for Kallay’s MRCC code.

  > > C++ signature :

  > > > psi::PsiReturnType mrcc_generate_input(boost::python::dict)

`psi4.``mrcc_load_densities`()

  Python Library Documentation: built-in function mrcc_load_densities in module psi4

  mrcc_load_densities(...)

  > mrcc_load_densities( (dict)arg1) -> PsiReturnType :

  > > Reads in the density matrices from Kallay’s MRCC code.

  > > C++ signature :

  > > > psi::PsiReturnType mrcc_load_densities(boost::python::dict)

`psi4.``nthread`()

  Python Library Documentation: built-in function nthread in module psi4

  nthread(...)

  > nthread() -> int :

  > > Returns the number of threads to use in SMP parallel computations.

  > > C++ signature :

  > > > int nthread()

`psi4.``nuclear_dipole`()

  Python Library Documentation: built-in function nuclear_dipole in module psi4

  nuclear_dipole(...)

  > nuclear_dipole( (Molecule)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> nuclear_dipole(boost::shared_ptr<psi::Molecule>)

`psi4.``occ`()

  Python Library Documentation: built-in function occ in module psi4

  occ(...)

  > occ() -> float :

  > > Runs the orbital optimized CC codes.

  > > C++ signature :

  > > > double occ()

`psi4.``opt_clean`()

  Python Library Documentation: built-in function opt_clean in module psi4

  opt_clean(...)

  > opt_clean() -> None :

  > > Cleans up the optimizer’s scratch files.

  > > C++ signature :

  > > > void opt_clean()

`psi4.``optking`()

  Python Library Documentation: built-in function optking in module psi4

  optking(...)

  > optking() -> int :

  > > Runs the geometry optimization / frequency analysis code.

  > > C++ signature :

  > > > int optking()

`psi4.``outfile_name`()

  Python Library Documentation: built-in function outfile_name in module psi4

  outfile_name(...)

  > outfile_name() -> str :

  > > Returns the name of the output file.

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > outfile_name()

`psi4.``plugin`()

  Python Library Documentation: built-in function plugin in module psi4

  plugin(...)

  > plugin( (str)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int plugin(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``plugin_close`()

  Python Library Documentation: built-in function plugin_close in module psi4

  plugin_close(...)

  > plugin_close( (str)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void plugin_close(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``plugin_close_all`()

  Python Library Documentation: built-in function plugin_close_all in module psi4

  plugin_close_all(...)

  > plugin_close_all() -> None :

  > > docstring

  > > C++ signature :

  > > > void plugin_close_all()

`psi4.``plugin_load`()

  Python Library Documentation: built-in function plugin_load in module psi4

  plugin_load(...)

  > plugin_load( (str)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int plugin_load(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``prepare_options_for_module`()

  Python Library Documentation: built-in function prepare_options_for_module in module psi4

  prepare_options_for_module(...)

  > prepare_options_for_module( (str)arg1) -> None :

  > > Sets the options module up to return options pertaining to the named argument (e.g. SCF).

  > > C++ signature :

  > > > void prepare_options_for_module(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``print_global_options`()

  Python Library Documentation: built-in function print_global_options in module psi4

  print_global_options(...)

  > print_global_options() -> None :

  > > Prints the currently set global (all modules) options to the output file.

  > > C++ signature :

  > > > void print_global_options()

`psi4.``print_options`()

  Python Library Documentation: built-in function print_options in module psi4

  print_options(...)

  > print_options() -> None :

  > > Prints the currently set options (to the output file) for the current module.

  > > C++ signature :

  > > > void print_options()

`psi4.``print_out`()

  Python Library Documentation: built-in function print_out in module psi4

  print_out(...)

  > print_out( (str)arg1) -> None :

  > > Prints a string (using sprintf-like notation) to the output file.

  > > C++ signature :

  > > > void print_out(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``print_variables`()

  Python Library Documentation: built-in function print_variables in module psi4

  print_variables(...)

  > print_variables() -> None :

  > > Prints all PSI variables that have been set internally.

  > > C++ signature :

  > > > void print_variables()

`psi4.``psi_top_srcdir`()

  Python Library Documentation: built-in function psi_top_srcdir in module psi4

  psi_top_srcdir(...)

  > psi_top_srcdir() -> str :

  > > Returns the location of the source code.

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > psi_top_srcdir()

`psi4.``psimrcc`()

  Python Library Documentation: built-in function psimrcc in module psi4

  psimrcc(...)

  > psimrcc() -> float :

  > > Runs the multireference coupled cluster code.

  > > C++ signature :

  > > > double psimrcc()

`psi4.``reopen_outfile`()

  Python Library Documentation: built-in function reopen_outfile in module psi4

  reopen_outfile(...)

  > reopen_outfile() -> None :

  > > Reopens the output file.

  > > C++ signature :

  > > > void reopen_outfile()

`psi4.``revoke_global_option_changed`()

  Python Library Documentation: built-in function revoke_global_option_changed in module psi4

  revoke_global_option_changed(...)

  > revoke_global_option_changed( (str)arg1) -> None :

  > > Given a string of a keyword name arg1, sets the has_changed attribute in the global options scope to false. Used in python driver when a function sets the value of an option. Before the function exits, this command is called on the option so that has_changed reflects whether the user (not the program) has touched the option.

  > > C++ signature :

  > > > void revoke_global_option_changed(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``revoke_local_option_changed`()

  Python Library Documentation: built-in function revoke_local_option_changed in module psi4

  revoke_local_option_changed(...)

  > revoke_local_option_changed( (str)arg1, (str)arg2) -> None :

  > > Given a string of a keyword name arg2 and a particular module arg1, sets the has_changed attribute in the module options scope to false. Used in python driver when a function sets the value of an option. Before the function exits, this command is called on the option so that has_changed reflects whether the user (not the program) has touched the option.

  > > C++ signature :

  > > > void revoke_local_option_changed(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``sapt`()

  Python Library Documentation: built-in function sapt in module psi4

  sapt(...)

  > sapt() -> float :

  > > Runs the symmetry adapted perturbation theory code.

  > > C++ signature :

  > > > double sapt()

`psi4.``scatter`()

  Python Library Documentation: built-in function scatter in module psi4

  scatter(...)

  > scatter( (float)arg1, (list)arg2, (list)arg3, (list)arg4) -> None :

  > > New Scatter function.

  > > C++ signature :

  > > > void scatter(double,boost::python::list,boost::python::list,boost::python::list)

`psi4.``scf`()

  Python Library Documentation: built-in function scf in module psi4

  scf(...)

  > scf( (object)arg1, (object)arg2) -> float :

  > > Runs the SCF code.

  > > C++ signature :

  > > > double scf(_object*,_object*)

  > scf() -> float :

  > > Runs the SCF code.

  > > C++ signature :

  > > > double scf()

`psi4.``scf_dummy`()

  Python Library Documentation: built-in function scf_dummy in module psi4

  scf_dummy(...)

  > scf_dummy() -> float :

  > > Builds SCF wavefunctionobject only. Does not execute scf.

  > > C++ signature :

  > > > double scf_dummy()

`psi4.``scfgrad`()

  Python Library Documentation: built-in function scfgrad in module psi4

  scfgrad(...)

  > scfgrad() -> int :

  > > Run scfgrad, which is a specialized DF-SCF gradient program.

  > > C++ signature :

  > > > int scfgrad()

`psi4.``scfhess`()

  Python Library Documentation: built-in function scfhess in module psi4

  scfhess(...)

  > scfhess() -> int :

  > > Run scfhess, which is a specialized DF-SCF hessian program.

  > > C++ signature :

  > > > int scfhess()

`psi4.``set_active_molecule`()

  Python Library Documentation: built-in function set_active_molecule in module psi4

  set_active_molecule(...)

  > set_active_molecule( (Molecule)arg1) -> None :

  > > Activates a previously defined (in the input) molecule, by name.

  > > C++ signature :

  > > > void set_active_molecule(boost::shared_ptr<psi::Molecule>)

`psi4.``set_array_variable`()

  Python Library Documentation: built-in function set_array_variable in module psi4

  set_array_variable(...)

  > set_array_variable( (str)arg1, (Matrix)arg2) -> None :

  > > Sets a PSI variable, by name.

  > > C++ signature :

  > > > void set_array_variable(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::shared_ptr<psi::Matrix>)

`psi4.``set_efp_torque`()

  Python Library Documentation: built-in function set_efp_torque in module psi4

  set_efp_torque(...)

  > set_efp_torque( (Matrix)arg1) -> None :

  > > Assigns the global EFP gradient to the values stored in the Nefp by 6 Matrix argument.

  > > C++ signature :

  > > > void set_efp_torque(boost::shared_ptr<psi::Matrix>)

`psi4.``set_frequencies`()

  Python Library Documentation: built-in function set_frequencies in module psi4

  set_frequencies(...)

  > set_frequencies( (Vector)arg1) -> None :

  > > Assigns the global frequencies to the values stored in the 3N-6 Vector argument.

  > > C++ signature :

  > > > void set_frequencies(boost::shared_ptr<psi::Vector>)

`psi4.``set_global_option`()

  Python Library Documentation: built-in function set_global_option in module psi4

  set_global_option(...)

  > set_global_option( (str)arg1, (str)arg2) -> bool :

  > > Sets value arg2 to string keyword arg1 for all modules.

  > > C++ signature :

  > > > bool set_global_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

  > set_global_option( (str)arg1, (float)arg2) -> bool :

  > > Sets value arg2 to double keyword arg1 for all modules.

  > > C++ signature :

  > > > bool set_global_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double)

  > set_global_option( (str)arg1, (int)arg2) -> bool :

  > > Sets value arg2 to integer keyword arg1 for all modules.

  > > C++ signature :

  > > > bool set_global_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,int)

  > set_global_option( (str)arg1, (list)arg2 [, (object)arg3]) -> bool :

  > > C++ signature :

  > > > bool set_global_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::python::list [,psi::DataType*])

`psi4.``set_global_option_python`()

  Python Library Documentation: built-in function set_global_option_python in module psi4

  set_global_option_python(...)

  > set_global_option_python( (str)arg1, (object)arg2) -> bool :

  > > Sets a global option to a Python object type.

  > > C++ signature :

  > > > bool set_global_option_python(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::python::api::object {lvalue})

`psi4.``set_gradient`()

  Python Library Documentation: built-in function set_gradient in module psi4

  set_gradient(...)

  > set_gradient( (Matrix)arg1) -> None :

  > > Assigns the global gradient to the values stored in the N by 3 Matrix argument.

  > > C++ signature :

  > > > void set_gradient(boost::shared_ptr<psi::Matrix>)

`psi4.``set_local_option`()

  Python Library Documentation: built-in function set_local_option in module psi4

  set_local_option(...)

  > set_local_option( (str)arg1, (str)arg2, (str)arg3) -> bool :

  > > Sets value arg3 to string keyword arg2 scoped only to a specific module arg1.

  > > C++ signature :

  > > > bool set_local_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

  > set_local_option( (str)arg1, (str)arg2, (float)arg3) -> bool :

  > > Sets value arg3 to double keyword arg2 scoped only to a specific module arg1.

  > > C++ signature :

  > > > bool set_local_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double)

  > set_local_option( (str)arg1, (str)arg2, (int)arg3) -> bool :

  > > Sets value arg3 to integer keyword arg2 scoped only to a specific module arg1.

  > > C++ signature :

  > > > bool set_local_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,int)

  > set_local_option( (str)arg1, (str)arg2, (list)arg3 [, (object)arg4]) -> bool :

  > > C++ signature :

  > > > bool set_local_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::python::list [,psi::DataType*])

`psi4.``set_local_option_python`()

  Python Library Documentation: built-in function set_local_option_python in module psi4

  set_local_option_python(...)

  > set_local_option_python( (str)arg1, (object)arg2) -> None :

  > > Sets an option to a Python object, but scoped only to a single module.

  > > C++ signature :

  > > > void set_local_option_python(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::python::api::object {lvalue})

`psi4.``set_memory`()

  Python Library Documentation: built-in function set_memory in module psi4

  set_memory(...)

  > set_memory( (int)arg1) -> None :

  > > Sets the memory available to Psi (in bytes).

  > > C++ signature :

  > > > void set_memory(unsigned long)

`psi4.``set_normalmodes`()

  Python Library Documentation: built-in function set_normalmodes in module psi4

  set_normalmodes(...)

  > set_normalmodes( (Vector)arg1) -> None :

  > > Assigns the global normalmodes to the values stored in a Vector argument.

  > > C++ signature :

  > > > void set_normalmodes(boost::shared_ptr<psi::Vector>)

`psi4.``set_nthread`()

  Python Library Documentation: built-in function set_nthread in module psi4

  set_nthread(...)

  > set_nthread( (int)arg1) -> None :

  > > Sets the number of threads to use in SMP parallel computations.

  > > C++ signature :

  > > > void set_nthread(int)

`psi4.``set_parent_symmetry`()

  Python Library Documentation: built-in function set_parent_symmetry in module psi4

  set_parent_symmetry(...)

  > set_parent_symmetry( (str)arg1) -> None :

  > > Sets the symmetry of the ‘parent’ (undisplaced) geometry, by Schoenflies symbol, at the beginning of a finite difference computation.

  > > C++ signature :

  > > > void set_parent_symmetry(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.``set_variable`()

  Python Library Documentation: built-in function set_variable in module psi4

  set_variable(...)

  > set_variable( (str)arg1, (float)arg2) -> None :

  > > Sets a PSI variable, by name.

  > > C++ signature :

  > > > void set_variable(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double)

`psi4.``stability`()

  Python Library Documentation: built-in function stability in module psi4

  stability(...)

  > stability() -> int :

  > > Runs the (experimental version) of HF stability analysis.

  > > C++ signature :

  > > > int stability()

`psi4.``thermo`()

  Python Library Documentation: built-in function thermo in module psi4

  thermo(...)

  > thermo() -> float :

  > > Computes thermodynamic data.

  > > C++ signature :

  > > > double thermo()

`psi4.``transqt`()

  Python Library Documentation: built-in function transqt in module psi4

  transqt(...)

  > transqt() -> float :

  > > Runs the (deprecated) transformation code.

  > > C++ signature :

  > > > double transqt()

`psi4.``transqt2`()

  Python Library Documentation: built-in function transqt2 in module psi4

  transqt2(...)

  > transqt2() -> float :

  > > Runs the (deprecated) transformation code.

  > > C++ signature :

  > > > double transqt2()

`psi4.``version`()

  Python Library Documentation: built-in function version in module psi4

  version(...)

  > version() -> str :

  > > Returns the version ID of this copy of Psi.

  > > C++ signature :

  > > > char const* version()

`psi4.``wavefunction`()

  Python Library Documentation: built-in function wavefunction in module psi4

  wavefunction(...)

  > wavefunction() -> Wavefunction :

  > > Returns the current wavefunction object from the most recent computation.

  > > C++ signature :

  > > > boost::shared_ptr<psi::Wavefunction> wavefunction()

## AOShellCombinationsIterator

`psi4.AOShellCombinationsIterator.``first`()

  Python Library Documentation: method first

  first(...) unbound psi4.AOShellCombinationsIterator method

  > first( (AOShellCombinationsIterator)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void first(psi::AOShellCombinationsIterator {lvalue})

`psi4.AOShellCombinationsIterator.``is_done`()

  Python Library Documentation: method is_done

  is_done(...) unbound psi4.AOShellCombinationsIterator method

  > is_done( (AOShellCombinationsIterator)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_done(psi::AOShellCombinationsIterator {lvalue})

`psi4.AOShellCombinationsIterator.``next`()

  Python Library Documentation: method next

  next(...) unbound psi4.AOShellCombinationsIterator method

  > next( (AOShellCombinationsIterator)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void next(psi::AOShellCombinationsIterator {lvalue})

`psi4.AOShellCombinationsIterator.``p`()

  Python Library Documentation: property

  > docstring

`psi4.AOShellCombinationsIterator.``q`()

  Python Library Documentation: property

  > docstring

`psi4.AOShellCombinationsIterator.``r`()

  Python Library Documentation: property

  > docstring

`psi4.AOShellCombinationsIterator.``s`()

  Python Library Documentation: property

  > docstring

## AngularMomentumInt

`psi4.AngularMomentumInt.``basis`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.AngularMomentumInt.``basis1`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.AngularMomentumInt.``basis2`()

  Python Library Documentation: property

  > The basis set on center two

`psi4.AngularMomentumInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.AngularMomentumInt method

  > compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_shell(psi::OneBodyAOInt {lvalue},int,int)

`psi4.AngularMomentumInt.``origin`()

  Python Library Documentation: property

  > The origin about which the one body ints are being computed.

`psi4.AngularMomentumInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.AngularMomentumInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.AngularMomentumInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.AngularMomentumInt method

  > set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)

## BasisSet

`psi4.BasisSet.``ao_to_shell`()

  Python Library Documentation: method ao_to_shell

  ao_to_shell(...) unbound psi4.BasisSet method

  > ao_to_shell( (BasisSet)arg1, (int)arg2) -> int :

  > > docstring

  > > C++ signature :

  > > > int ao_to_shell(psi::BasisSet {lvalue},int)

`psi4.BasisSet.``construct`()

  Python Library Documentation: built-in function construct

  construct(...)

  > construct( (BasisSetParser)arg1, (Molecule)arg2, (str)arg3) -> BasisSet :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::BasisSet> construct(boost::shared_ptr<psi::BasisSetParser>,boost::shared_ptr<psi::Molecule>,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.BasisSet.``decontract`()

  Python Library Documentation: method decontract

  decontract(...) unbound psi4.BasisSet method

  > decontract( (BasisSet)arg1) -> BasisSet :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::BasisSet> decontract(psi::BasisSet {lvalue})

`psi4.BasisSet.``function_to_center`()

  Python Library Documentation: method function_to_center

  function_to_center(...) unbound psi4.BasisSet method

  > function_to_center( (BasisSet)arg1, (int)arg2) -> int :

  > > Given a function number, return the number of the center it is on.

  > > C++ signature :

  > > > int function_to_center(psi::BasisSet {lvalue},int)

`psi4.BasisSet.``function_to_shell`()

  Python Library Documentation: method function_to_shell

  function_to_shell(...) unbound psi4.BasisSet method

  > function_to_shell( (BasisSet)arg1, (int)arg2) -> int :

  > > docstring

  > > C++ signature :

  > > > int function_to_shell(psi::BasisSet {lvalue},int)

`psi4.BasisSet.``genbas`()

  Python Library Documentation: method genbas

  genbas(...) unbound psi4.BasisSet method

  > genbas( (BasisSet)arg1) -> str :

  > > Returns basis set per atom in CFOUR format

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > genbas(psi::BasisSet {lvalue})

`psi4.BasisSet.``has_puream`()

  Python Library Documentation: method has_puream

  has_puream(...) unbound psi4.BasisSet method

  > has_puream( (BasisSet)arg1) -> bool :

  > > Spherical harmonics?

  > > C++ signature :

  > > > bool has_puream(psi::BasisSet {lvalue})

`psi4.BasisSet.``make_filename`()

  Python Library Documentation: built-in function make_filename

  make_filename(...)

  > make_filename( (str)arg1) -> str :

  > > Returns filename for basis name: pluses, stars, parentheses replaced and gbs extension added

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > make_filename(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.BasisSet.``max_am`()

  Python Library Documentation: method max_am

  max_am(...) unbound psi4.BasisSet method

  > max_am( (BasisSet)arg1) -> int :

  > > Returns maximum angular momentum used

  > > C++ signature :

  > > > int max_am(psi::BasisSet {lvalue})

`psi4.BasisSet.``max_function_per_shell`()

  Python Library Documentation: method max_function_per_shell

  max_function_per_shell(...) unbound psi4.BasisSet method

  > max_function_per_shell( (BasisSet)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int max_function_per_shell(psi::BasisSet {lvalue})

`psi4.BasisSet.``max_nprimitive`()

  Python Library Documentation: method max_nprimitive

  max_nprimitive(...) unbound psi4.BasisSet method

  > max_nprimitive( (BasisSet)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int max_nprimitive(psi::BasisSet {lvalue})

`psi4.BasisSet.``nao`()

  Python Library Documentation: method nao

  nao(...) unbound psi4.BasisSet method

  > nao( (BasisSet)arg1) -> int :

  > > Returns number of atomic orbitals (Cartesian)

  > > C++ signature :

  > > > int nao(psi::BasisSet {lvalue})

`psi4.BasisSet.``nbf`()

  Python Library Documentation: method nbf

  nbf(...) unbound psi4.BasisSet method

  > nbf( (BasisSet)arg1) -> int :

  > > Returns number of basis functions (Cartesian or spherical depending on has_puream)

  > > C++ signature :

  > > > int nbf(psi::BasisSet {lvalue})

`psi4.BasisSet.``nprimitive`()

  Python Library Documentation: method nprimitive

  nprimitive(...) unbound psi4.BasisSet method

  > nprimitive( (BasisSet)arg1) -> int :

  > > Returns total number of primitives in all contractions

  > > C++ signature :

  > > > int nprimitive(psi::BasisSet {lvalue})

`psi4.BasisSet.``nshell`()

  Python Library Documentation: method nshell

  nshell(...) unbound psi4.BasisSet method

  > nshell( (BasisSet)arg1) -> int :

  > > Returns number of shells

  > > C++ signature :

  > > > int nshell(psi::BasisSet {lvalue})

`psi4.BasisSet.``nshell_on_center`()

  Python Library Documentation: method nshell_on_center

  nshell_on_center(...) unbound psi4.BasisSet method

  > nshell_on_center( (BasisSet)arg1, (int)arg2) -> int :

  > > docstring

  > > C++ signature :

  > > > int nshell_on_center(psi::BasisSet {lvalue},int)

`psi4.BasisSet.``print_detail_out`()

  Python Library Documentation: method print_detail_out

  print_detail_out(...) unbound psi4.BasisSet method

  > print_detail_out( (BasisSet)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_detail_out(psi::BasisSet {lvalue})

`psi4.BasisSet.``print_out`()

  Python Library Documentation: method print_out

  print_out(...) unbound psi4.BasisSet method

  > print_out( (BasisSet)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_out(psi::BasisSet {lvalue})

`psi4.BasisSet.``pyconstruct_auxiliary`()

  Python Library Documentation: built-in function pyconstruct_auxiliary

  pyconstruct_auxiliary(...)

  > pyconstruct_auxiliary( (Molecule)arg1, (str)arg2, (str)arg3, (str)arg4, (str)arg5 [, (int)arg6]) -> BasisSet :

  > > Returns new BasisSet for Molecule arg1 for target keyword name arg2 and target keyword value arg3. This suffices for orbital basis sets. For auxiliary basis sets, a default fitting role (e.g., RIFIT, JKFIT) arg4 and orbital keyword value arg5 are required. An optional argument to force the puream setting is arg4 for orbital basis sets and arg6 for auxiliary basis sets.

  > > C++ signature :

  > > > boost::shared_ptr<psi::BasisSet> pyconstruct_auxiliary(boost::shared_ptr<psi::Molecule>,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,int])

`psi4.BasisSet.``pyconstruct_orbital`()

  Python Library Documentation: built-in function pyconstruct_orbital

  pyconstruct_orbital(...)

  > pyconstruct_orbital( (Molecule)arg1, (str)arg2, (str)arg3 [, (int)arg4]) -> BasisSet :

  > > Returns new BasisSet for Molecule arg1 for target keyword name arg2 and target keyword value arg3. This suffices for orbital basis sets. For auxiliary basis sets, a default fitting role (e.g., RIFIT, JKFIT) arg4 and orbital keyword value arg5 are required. An optional argument to force the puream setting is arg4 for orbital basis sets and arg6 for auxiliary basis sets.

  > > C++ signature :

  > > > boost::shared_ptr<psi::BasisSet> pyconstruct_orbital(boost::shared_ptr<psi::Molecule>,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,int])

`psi4.BasisSet.``shell`()

  Python Library Documentation: method shell

  shell(...) unbound psi4.BasisSet method

  > shell( (BasisSet)arg1, (int)arg2) -> GaussianShell :

  > > docstring

  > > C++ signature :

  > > > psi::GaussianShell shell(psi::BasisSet {lvalue},int)

  > shell( (BasisSet)arg1, (int)arg2, (int)arg3) -> GaussianShell :

  > > docstring

  > > C++ signature :

  > > > psi::GaussianShell shell(psi::BasisSet {lvalue},int,int)

`psi4.BasisSet.``shell_to_ao_function`()

  Python Library Documentation: method shell_to_ao_function

  shell_to_ao_function(...) unbound psi4.BasisSet method

  > shell_to_ao_function( (BasisSet)arg1, (int)arg2) -> int :

  > > docstring

  > > C++ signature :

  > > > int shell_to_ao_function(psi::BasisSet {lvalue},int)

`psi4.BasisSet.``shell_to_basis_function`()

  Python Library Documentation: method shell_to_basis_function

  shell_to_basis_function(...) unbound psi4.BasisSet method

  > shell_to_basis_function( (BasisSet)arg1, (int)arg2) -> int :

  > > docstring

  > > C++ signature :

  > > > int shell_to_basis_function(psi::BasisSet {lvalue},int)

`psi4.BasisSet.``shell_to_center`()

  Python Library Documentation: method shell_to_center

  shell_to_center(...) unbound psi4.BasisSet method

  > shell_to_center( (BasisSet)arg1, (int)arg2) -> int :

  > > docstring

  > > C++ signature :

  > > > int shell_to_center(psi::BasisSet {lvalue},int)

`psi4.BasisSet.``zero_ao_basis_set`()

  Python Library Documentation: built-in function zero_ao_basis_set

  zero_ao_basis_set(...)

  > zero_ao_basis_set() -> BasisSet :

  > > Returns a BasisSet object that actually has a single s-function at the origin with an exponent of 0.0 and contraction of 1.0.

  > > C++ signature :

  > > > boost::shared_ptr<psi::BasisSet> zero_ao_basis_set()

## BasisSetParser

## BoysLocalizer

`psi4.BoysLocalizer.``L`()

  Python Library Documentation: property

  > Localized orbital coefficients

`psi4.BoysLocalizer.``U`()

  Python Library Documentation: property

  > Orbital rotation matrix

`psi4.BoysLocalizer.``build`()

  Python Library Documentation: built-in function build

  build(...)

  > build( (str)arg1, (BasisSet)arg2, (Matrix)arg3) -> Localizer :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Localizer> build(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::Matrix>)

`psi4.BoysLocalizer.``converged`()

  Python Library Documentation: property

  > Did the localization procedure converge?

`psi4.BoysLocalizer.``localize`()

  Python Library Documentation: method localize

  localize(...) unbound psi4.BoysLocalizer method

  > localize( (Localizer)arg1) -> None :

  > > Perform the localization procedure

  > > C++ signature :

  > > > void localize(psi::Localizer {lvalue})

## CdSalcList

`psi4.CdSalcList.``matrix`()

  Python Library Documentation: method matrix

  matrix(...) unbound psi4.CdSalcList method

  > matrix( (CdSalcList)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> matrix(psi::CdSalcList {lvalue})

`psi4.CdSalcList.``print_out`()

  Python Library Documentation: method print_out

  print_out(...) unbound psi4.CdSalcList method

  > print_out( (CdSalcList)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_out(psi::CdSalcList {lvalue})

## Checkpoint

`psi4.Checkpoint.``disp`()

  Python Library Documentation: property

  > docstring

`psi4.Checkpoint.``e_t`()

  Python Library Documentation: property

  > docstring

`psi4.Checkpoint.``eccsd`()

  Python Library Documentation: property

  > docstring

`psi4.Checkpoint.``ecorr`()

  Python Library Documentation: property

  > docstring

`psi4.Checkpoint.``efzc`()

  Python Library Documentation: property

  > docstring

`psi4.Checkpoint.``emp2`()

  Python Library Documentation: property

  > docstring

`psi4.Checkpoint.``enuc`()

  Python Library Documentation: property

  > docstring

`psi4.Checkpoint.``eref`()

  Python Library Documentation: property

  > docstring

`psi4.Checkpoint.``escf`()

  Python Library Documentation: property

  > docstring

`psi4.Checkpoint.``etot`()

  Python Library Documentation: property

  > docstring

`psi4.Checkpoint.``label`()

  Python Library Documentation: property

  > docstring

`psi4.Checkpoint.``shared_object`()

  Python Library Documentation: built-in function shared_object

  shared_object(...)

  > shared_object() -> Checkpoint :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Chkpt> shared_object()

## CorrelationFactor

`psi4.CorrelationFactor.``set_params`()

  Python Library Documentation: method set_params

  set_params(...) unbound psi4.CorrelationFactor method

  > set_params( (CorrelationFactor)arg1, (Vector)arg2, (Vector)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_params(psi::CorrelationFactor {lvalue},boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>)

## CubeFile

`psi4.CubeFile.``process_density`()

  Python Library Documentation: method process_density

  process_density(...) unbound psi4.CubeFile method

  > process_density( (CubeFile)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void process_density(psi::CubeFile {lvalue})

`psi4.CubeFile.``set_buffer`()

  Python Library Documentation: method set_buffer

  set_buffer(...) unbound psi4.CubeFile method

  > set_buffer( (CubeFile)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_buffer(psi::CubeFile {lvalue},double)

`psi4.CubeFile.``set_filename`()

  Python Library Documentation: method set_filename

  set_filename(...) unbound psi4.CubeFile method

  > set_filename( (CubeFile)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_filename(psi::CubeFile {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.CubeFile.``set_npts`()

  Python Library Documentation: method set_npts

  set_npts(...) unbound psi4.CubeFile method

  > set_npts( (CubeFile)arg1, (int)arg2, (int)arg3, (int)arg4) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_npts(psi::CubeFile {lvalue},int,int,int)

## CubeProperties

`psi4.CubeProperties.``compute_properties`()

  Python Library Documentation: method compute_properties

  compute_properties(...) unbound psi4.CubeProperties method

  > compute_properties( (CubeProperties)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_properties(psi::CubeProperties {lvalue})

## DFChargeFitter

`psi4.DFChargeFitter.``d`()

  Python Library Documentation: method d

  d(...) unbound psi4.DFChargeFitter method

  > d( (DFChargeFitter)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> d(psi::DFChargeFitter {lvalue})

`psi4.DFChargeFitter.``fit`()

  Python Library Documentation: method fit

  fit(...) unbound psi4.DFChargeFitter method

  > fit( (DFChargeFitter)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> fit(psi::DFChargeFitter {lvalue})

`psi4.DFChargeFitter.``setAuxiliary`()

  Python Library Documentation: method setAuxiliary

  setAuxiliary(...) unbound psi4.DFChargeFitter method

  > setAuxiliary( (DFChargeFitter)arg1, (BasisSet)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void setAuxiliary(psi::DFChargeFitter {lvalue},boost::shared_ptr<psi::BasisSet>)

`psi4.DFChargeFitter.``setD`()

  Python Library Documentation: method setD

  setD(...) unbound psi4.DFChargeFitter method

  > setD( (DFChargeFitter)arg1, (Matrix)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void setD(psi::DFChargeFitter {lvalue},boost::shared_ptr<psi::Matrix>)

`psi4.DFChargeFitter.``setPrimary`()

  Python Library Documentation: method setPrimary

  setPrimary(...) unbound psi4.DFChargeFitter method

  > setPrimary( (DFChargeFitter)arg1, (BasisSet)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void setPrimary(psi::DFChargeFitter {lvalue},boost::shared_ptr<psi::BasisSet>)

## DFTensor

`psi4.DFTensor.``Idfmo`()

  Python Library Documentation: method Idfmo

  Idfmo(...) unbound psi4.DFTensor method

  > Idfmo( (DFTensor)arg1) -> Matrix :

  > > doctsring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Idfmo(psi::DFTensor {lvalue})

`psi4.DFTensor.``Imo`()

  Python Library Documentation: method Imo

  Imo(...) unbound psi4.DFTensor method

  > Imo( (DFTensor)arg1) -> Matrix :

  > > doctsring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Imo(psi::DFTensor {lvalue})

`psi4.DFTensor.``Qmo`()

  Python Library Documentation: method Qmo

  Qmo(...) unbound psi4.DFTensor method

  > Qmo( (DFTensor)arg1) -> Matrix :

  > > doctsring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Qmo(psi::DFTensor {lvalue})

`psi4.DFTensor.``Qoo`()

  Python Library Documentation: method Qoo

  Qoo(...) unbound psi4.DFTensor method

  > Qoo( (DFTensor)arg1) -> Matrix :

  > > doctsring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Qoo(psi::DFTensor {lvalue})

`psi4.DFTensor.``Qov`()

  Python Library Documentation: method Qov

  Qov(...) unbound psi4.DFTensor method

  > Qov( (DFTensor)arg1) -> Matrix :

  > > doctsring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Qov(psi::DFTensor {lvalue})

`psi4.DFTensor.``Qso`()

  Python Library Documentation: method Qso

  Qso(...) unbound psi4.DFTensor method

  > Qso( (DFTensor)arg1) -> Matrix :

  > > doctsring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Qso(psi::DFTensor {lvalue})

`psi4.DFTensor.``Qvv`()

  Python Library Documentation: method Qvv

  Qvv(...) unbound psi4.DFTensor method

  > Qvv( (DFTensor)arg1) -> Matrix :

  > > doctsring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Qvv(psi::DFTensor {lvalue})

## DiagonalizeOrder

`psi4.DiagonalizeOrder.``Ascending`()

  Python Library Documentation: DiagonalizeOrder in module psi4 object

  class DiagonalizeOrder(Boost.Python.enum)

  > docstring
  > Method resolution order:
  > DiagonalizeOrder
  > Boost.Python.enum
  > __builtin__.int
  > __builtin__.object
  > Data and other attributes defined here:
  > Ascending = psi4.DiagonalizeOrder.Ascending
  > Descending = psi4.DiagonalizeOrder.Descending
  > names = {‘Ascending’: psi4.DiagonalizeOrder.Ascending, ‘Descending’: p...
  > values = {1: psi4.DiagonalizeOrder.Ascending, 3: psi4.DiagonalizeOrder...
  > ———————————————————————-
  > Methods inherited from Boost.Python.enum:
  > __repr__(...)
  > x.__repr__() <==> repr(x)
  > __str__(...)
  > x.__str__() <==> str(x)
  > ———————————————————————-
  > Data descriptors inherited from Boost.Python.enum:
  > name
  > ———————————————————————-
  > Methods inherited from __builtin__.int:
  > __abs__(...)
  > x.__abs__() <==> abs(x)
  > __add__(...)
  > x.__add__(y) <==> x+y
  > __and__(...)
  > x.__and__(y) <==> x&y
  > __cmp__(...)
  > x.__cmp__(y) <==> cmp(x,y)
  > __coerce__(...)
  > x.__coerce__(y) <==> coerce(x, y)
  > __div__(...)
  > x.__div__(y) <==> x/y
  > __divmod__(...)
  > x.__divmod__(y) <==> divmod(x, y)
  > __float__(...)
  > x.__float__() <==> float(x)
  > __floordiv__(...)
  > x.__floordiv__(y) <==> x//y
  > __format__(...)
  > __getattribute__(...)
  > x.__getattribute__(‘name’) <==> x.name
  > __getnewargs__(...)
  > __hash__(...)
  > x.__hash__() <==> hash(x)
  > __hex__(...)
  > x.__hex__() <==> hex(x)
  > __index__(...)
  > x[y:z] <==> x[y.__index__():z.__index__()]
  > __int__(...)
  > x.__int__() <==> int(x)
  > __invert__(...)
  > x.__invert__() <==> ~x
  > __long__(...)
  > x.__long__() <==> long(x)
  > __lshift__(...)
  > x.__lshift__(y) <==> x<<y
  > __mod__(...)
  > x.__mod__(y) <==> x%y
  > __mul__(...)
  > x.__mul__(y) <==> x*y
  > __neg__(...)
  > x.__neg__() <==> -x
  > __nonzero__(...)
  > x.__nonzero__() <==> x != 0
  > __oct__(...)
  > x.__oct__() <==> oct(x)
  > __or__(...)
  > x.__or__(y) <==> x|y
  > __pos__(...)
  > x.__pos__() <==> +x
  > __pow__(...)
  > x.__pow__(y[, z]) <==> pow(x, y[, z])
  > __radd__(...)
  > x.__radd__(y) <==> y+x
  > __rand__(...)
  > x.__rand__(y) <==> y&x
  > __rdiv__(...)
  > x.__rdiv__(y) <==> y/x
  > __rdivmod__(...)
  > x.__rdivmod__(y) <==> divmod(y, x)
  > __rfloordiv__(...)
  > x.__rfloordiv__(y) <==> y//x
  > __rlshift__(...)
  > x.__rlshift__(y) <==> y<<x
  > __rmod__(...)
  > x.__rmod__(y) <==> y%x
  > __rmul__(...)
  > x.__rmul__(y) <==> y*x
  > __ror__(...)
  > x.__ror__(y) <==> y|x
  > __rpow__(...)
  > y.__rpow__(x[, z]) <==> pow(x, y[, z])
  > __rrshift__(...)
  > x.__rrshift__(y) <==> y>>x
  > __rshift__(...)
  > x.__rshift__(y) <==> x>>y
  > __rsub__(...)
  > x.__rsub__(y) <==> y-x
  > __rtruediv__(...)
  > x.__rtruediv__(y) <==> y/x
  > __rxor__(...)
  > x.__rxor__(y) <==> y^x
  > __sub__(...)
  > x.__sub__(y) <==> x-y
  > __truediv__(...)
  > x.__truediv__(y) <==> x/y
  > __trunc__(...)
  > Truncating an Integral returns itself.
  > __xor__(...)
  > x.__xor__(y) <==> x^y
  > bit_length(...)
  > int.bit_length() -> int
  > Number of bits necessary to represent self in binary.
  > >>> bin(37)
  > ‘0b100101’
  > >>> (37).bit_length()
  > 6
  > conjugate(...)
  > Returns self, the complex conjugate of any int.
  > ———————————————————————-
  > Data descriptors inherited from __builtin__.int:
  > denominator
  > the denominator of a rational number in lowest terms
  > imag
  > the imaginary part of a complex number
  > numerator
  > the numerator of a rational number in lowest terms
  > real
  > the real part of a complex number
  > ———————————————————————-
  > Data and other attributes inherited from __builtin__.int:
  > __new__ = <built-in method __new__ of type object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

`psi4.DiagonalizeOrder.``Descending`()

  Python Library Documentation: DiagonalizeOrder in module psi4 object

  class DiagonalizeOrder(Boost.Python.enum)

  > docstring
  > Method resolution order:
  > DiagonalizeOrder
  > Boost.Python.enum
  > __builtin__.int
  > __builtin__.object
  > Data and other attributes defined here:
  > Ascending = psi4.DiagonalizeOrder.Ascending
  > Descending = psi4.DiagonalizeOrder.Descending
  > names = {‘Ascending’: psi4.DiagonalizeOrder.Ascending, ‘Descending’: p...
  > values = {1: psi4.DiagonalizeOrder.Ascending, 3: psi4.DiagonalizeOrder...
  > ———————————————————————-
  > Methods inherited from Boost.Python.enum:
  > __repr__(...)
  > x.__repr__() <==> repr(x)
  > __str__(...)
  > x.__str__() <==> str(x)
  > ———————————————————————-
  > Data descriptors inherited from Boost.Python.enum:
  > name
  > ———————————————————————-
  > Methods inherited from __builtin__.int:
  > __abs__(...)
  > x.__abs__() <==> abs(x)
  > __add__(...)
  > x.__add__(y) <==> x+y
  > __and__(...)
  > x.__and__(y) <==> x&y
  > __cmp__(...)
  > x.__cmp__(y) <==> cmp(x,y)
  > __coerce__(...)
  > x.__coerce__(y) <==> coerce(x, y)
  > __div__(...)
  > x.__div__(y) <==> x/y
  > __divmod__(...)
  > x.__divmod__(y) <==> divmod(x, y)
  > __float__(...)
  > x.__float__() <==> float(x)
  > __floordiv__(...)
  > x.__floordiv__(y) <==> x//y
  > __format__(...)
  > __getattribute__(...)
  > x.__getattribute__(‘name’) <==> x.name
  > __getnewargs__(...)
  > __hash__(...)
  > x.__hash__() <==> hash(x)
  > __hex__(...)
  > x.__hex__() <==> hex(x)
  > __index__(...)
  > x[y:z] <==> x[y.__index__():z.__index__()]
  > __int__(...)
  > x.__int__() <==> int(x)
  > __invert__(...)
  > x.__invert__() <==> ~x
  > __long__(...)
  > x.__long__() <==> long(x)
  > __lshift__(...)
  > x.__lshift__(y) <==> x<<y
  > __mod__(...)
  > x.__mod__(y) <==> x%y
  > __mul__(...)
  > x.__mul__(y) <==> x*y
  > __neg__(...)
  > x.__neg__() <==> -x
  > __nonzero__(...)
  > x.__nonzero__() <==> x != 0
  > __oct__(...)
  > x.__oct__() <==> oct(x)
  > __or__(...)
  > x.__or__(y) <==> x|y
  > __pos__(...)
  > x.__pos__() <==> +x
  > __pow__(...)
  > x.__pow__(y[, z]) <==> pow(x, y[, z])
  > __radd__(...)
  > x.__radd__(y) <==> y+x
  > __rand__(...)
  > x.__rand__(y) <==> y&x
  > __rdiv__(...)
  > x.__rdiv__(y) <==> y/x
  > __rdivmod__(...)
  > x.__rdivmod__(y) <==> divmod(y, x)
  > __rfloordiv__(...)
  > x.__rfloordiv__(y) <==> y//x
  > __rlshift__(...)
  > x.__rlshift__(y) <==> y<<x
  > __rmod__(...)
  > x.__rmod__(y) <==> y%x
  > __rmul__(...)
  > x.__rmul__(y) <==> y*x
  > __ror__(...)
  > x.__ror__(y) <==> y|x
  > __rpow__(...)
  > y.__rpow__(x[, z]) <==> pow(x, y[, z])
  > __rrshift__(...)
  > x.__rrshift__(y) <==> y>>x
  > __rshift__(...)
  > x.__rshift__(y) <==> x>>y
  > __rsub__(...)
  > x.__rsub__(y) <==> y-x
  > __rtruediv__(...)
  > x.__rtruediv__(y) <==> y/x
  > __rxor__(...)
  > x.__rxor__(y) <==> y^x
  > __sub__(...)
  > x.__sub__(y) <==> x-y
  > __truediv__(...)
  > x.__truediv__(y) <==> x/y
  > __trunc__(...)
  > Truncating an Integral returns itself.
  > __xor__(...)
  > x.__xor__(y) <==> x^y
  > bit_length(...)
  > int.bit_length() -> int
  > Number of bits necessary to represent self in binary.
  > >>> bin(37)
  > ‘0b100101’
  > >>> (37).bit_length()
  > 6
  > conjugate(...)
  > Returns self, the complex conjugate of any int.
  > ———————————————————————-
  > Data descriptors inherited from __builtin__.int:
  > denominator
  > the denominator of a rational number in lowest terms
  > imag
  > the imaginary part of a complex number
  > numerator
  > the numerator of a rational number in lowest terms
  > real
  > the real part of a complex number
  > ———————————————————————-
  > Data and other attributes inherited from __builtin__.int:
  > __new__ = <built-in method __new__ of type object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

`psi4.DiagonalizeOrder.``bit_length`()

  Python Library Documentation: method_descriptor

  bit_length(...)

  > int.bit_length() -> int

  > Number of bits necessary to represent self in binary.

  >     >>> bin(37)

  > ‘0b100101’

  >     >>> (37).bit_length()

  > 6

`psi4.DiagonalizeOrder.``conjugate`()

  Python Library Documentation: method_descriptor

  conjugate(...)

  > Returns self, the complex conjugate of any int.

`psi4.DiagonalizeOrder.``denominator`()

  Python Library Documentation: getset descriptor __builtin__.int.denominator

  denominator

  > the denominator of a rational number in lowest terms

`psi4.DiagonalizeOrder.``imag`()

  Python Library Documentation: getset descriptor __builtin__.int.imag

  imag

  > the imaginary part of a complex number

`psi4.DiagonalizeOrder.``name`()

  Python Library Documentation: member descriptor Boost.Python.enum.name

  name

`psi4.DiagonalizeOrder.``names`()

  Python Library Documentation: dict object

  class dict(object)

  > dict() -> new empty dictionary
  > dict(mapping) -> new dictionary initialized from a mapping object’s
  > (key, value) pairs
  > dict(iterable) -> new dictionary initialized as if via:
  > d = {}
  > for k, v in iterable:
  > d[k] = v
  > dict(**kwargs) -> new dictionary initialized with the name=value pairs
  > in the keyword argument list. For example: dict(one=1, two=2)
  > Methods defined here:
  > __cmp__(...)
  > x.__cmp__(y) <==> cmp(x,y)
  > __contains__(...)
  > D.__contains__(k) -> True if D has a key k, else False
  > __delitem__(...)
  > x.__delitem__(y) <==> del x[y]
  > __eq__(...)
  > x.__eq__(y) <==> x==y
  > __ge__(...)
  > x.__ge__(y) <==> x>=y
  > __getattribute__(...)
  > x.__getattribute__(‘name’) <==> x.name
  > __getitem__(...)
  > x.__getitem__(y) <==> x[y]
  > __gt__(...)
  > x.__gt__(y) <==> x>y
  > __init__(...)
  > x.__init__(...) initializes x; see help(type(x)) for signature
  > __iter__(...)
  > x.__iter__() <==> iter(x)
  > __le__(...)
  > x.__le__(y) <==> x<=y
  > __len__(...)
  > x.__len__() <==> len(x)
  > __lt__(...)
  > x.__lt__(y) <==> x<y
  > __ne__(...)
  > x.__ne__(y) <==> x!=y
  > __repr__(...)
  > x.__repr__() <==> repr(x)
  > __setitem__(...)
  > x.__setitem__(i, y) <==> x[i]=y
  > __sizeof__(...)
  > D.__sizeof__() -> size of D in memory, in bytes
  > clear(...)
  > D.clear() -> None. Remove all items from D.
  > copy(...)
  > D.copy() -> a shallow copy of D
  > fromkeys(...)
  > dict.fromkeys(S[,v]) -> New dict with keys from S and values equal to v.
  > v defaults to None.
  > get(...)
  > D.get(k[,d]) -> D[k] if k in D, else d. d defaults to None.
  > has_key(...)
  > D.has_key(k) -> True if D has a key k, else False
  > items(...)
  > D.items() -> list of D’s (key, value) pairs, as 2-tuples
  > iteritems(...)
  > D.iteritems() -> an iterator over the (key, value) items of D
  > iterkeys(...)
  > D.iterkeys() -> an iterator over the keys of D
  > itervalues(...)
  > D.itervalues() -> an iterator over the values of D
  > keys(...)
  > D.keys() -> list of D’s keys
  > pop(...)
  > D.pop(k[,d]) -> v, remove specified key and return the corresponding value.
  > If key is not found, d is returned if given, otherwise KeyError is raised
  > popitem(...)
  > D.popitem() -> (k, v), remove and return some (key, value) pair as a
  > 2-tuple; but raise KeyError if D is empty.
  > setdefault(...)
  > D.setdefault(k[,d]) -> D.get(k,d), also set D[k]=d if k not in D
  > update(...)
  > D.update([E, ]**F) -> None. Update D from dict/iterable E and F.
  > If E present and has a .keys() method, does: for k in E: D[k] = E[k]
  > If E present and lacks .keys() method, does: for (k, v) in E: D[k] = v
  > In either case, this is followed by: for k in F: D[k] = F[k]
  > values(...)
  > D.values() -> list of D’s values
  > viewitems(...)
  > D.viewitems() -> a set-like object providing a view on D’s items
  > viewkeys(...)
  > D.viewkeys() -> a set-like object providing a view on D’s keys
  > viewvalues(...)
  > D.viewvalues() -> an object providing a view on D’s values
  > ———————————————————————-
  > Data and other attributes defined here:
  > __hash__ = None
  > __new__ = <built-in method __new__ of type object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

`psi4.DiagonalizeOrder.``numerator`()

  Python Library Documentation: getset descriptor __builtin__.int.numerator

  numerator

  > the numerator of a rational number in lowest terms

`psi4.DiagonalizeOrder.``real`()

  Python Library Documentation: getset descriptor __builtin__.int.real

  real

  > the real part of a complex number

`psi4.DiagonalizeOrder.``values`()

  Python Library Documentation: dict object

  class dict(object)

  > dict() -> new empty dictionary
  > dict(mapping) -> new dictionary initialized from a mapping object’s
  > (key, value) pairs
  > dict(iterable) -> new dictionary initialized as if via:
  > d = {}
  > for k, v in iterable:
  > d[k] = v
  > dict(**kwargs) -> new dictionary initialized with the name=value pairs
  > in the keyword argument list. For example: dict(one=1, two=2)
  > Methods defined here:
  > __cmp__(...)
  > x.__cmp__(y) <==> cmp(x,y)
  > __contains__(...)
  > D.__contains__(k) -> True if D has a key k, else False
  > __delitem__(...)
  > x.__delitem__(y) <==> del x[y]
  > __eq__(...)
  > x.__eq__(y) <==> x==y
  > __ge__(...)
  > x.__ge__(y) <==> x>=y
  > __getattribute__(...)
  > x.__getattribute__(‘name’) <==> x.name
  > __getitem__(...)
  > x.__getitem__(y) <==> x[y]
  > __gt__(...)
  > x.__gt__(y) <==> x>y
  > __init__(...)
  > x.__init__(...) initializes x; see help(type(x)) for signature
  > __iter__(...)
  > x.__iter__() <==> iter(x)
  > __le__(...)
  > x.__le__(y) <==> x<=y
  > __len__(...)
  > x.__len__() <==> len(x)
  > __lt__(...)
  > x.__lt__(y) <==> x<y
  > __ne__(...)
  > x.__ne__(y) <==> x!=y
  > __repr__(...)
  > x.__repr__() <==> repr(x)
  > __setitem__(...)
  > x.__setitem__(i, y) <==> x[i]=y
  > __sizeof__(...)
  > D.__sizeof__() -> size of D in memory, in bytes
  > clear(...)
  > D.clear() -> None. Remove all items from D.
  > copy(...)
  > D.copy() -> a shallow copy of D
  > fromkeys(...)
  > dict.fromkeys(S[,v]) -> New dict with keys from S and values equal to v.
  > v defaults to None.
  > get(...)
  > D.get(k[,d]) -> D[k] if k in D, else d. d defaults to None.
  > has_key(...)
  > D.has_key(k) -> True if D has a key k, else False
  > items(...)
  > D.items() -> list of D’s (key, value) pairs, as 2-tuples
  > iteritems(...)
  > D.iteritems() -> an iterator over the (key, value) items of D
  > iterkeys(...)
  > D.iterkeys() -> an iterator over the keys of D
  > itervalues(...)
  > D.itervalues() -> an iterator over the values of D
  > keys(...)
  > D.keys() -> list of D’s keys
  > pop(...)
  > D.pop(k[,d]) -> v, remove specified key and return the corresponding value.
  > If key is not found, d is returned if given, otherwise KeyError is raised
  > popitem(...)
  > D.popitem() -> (k, v), remove and return some (key, value) pair as a
  > 2-tuple; but raise KeyError if D is empty.
  > setdefault(...)
  > D.setdefault(k[,d]) -> D.get(k,d), also set D[k]=d if k not in D
  > update(...)
  > D.update([E, ]**F) -> None. Update D from dict/iterable E and F.
  > If E present and has a .keys() method, does: for k in E: D[k] = E[k]
  > If E present and lacks .keys() method, does: for (k, v) in E: D[k] = v
  > In either case, this is followed by: for k in F: D[k] = F[k]
  > values(...)
  > D.values() -> list of D’s values
  > viewitems(...)
  > D.viewitems() -> a set-like object providing a view on D’s items
  > viewkeys(...)
  > D.viewkeys() -> a set-like object providing a view on D’s keys
  > viewvalues(...)
  > D.viewvalues() -> an object providing a view on D’s values
  > ———————————————————————-
  > Data and other attributes defined here:
  > __hash__ = None
  > __new__ = <built-in method __new__ of type object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

## Dimension

`psi4.Dimension.``init`()

  Python Library Documentation: method init

  init(...) unbound psi4.Dimension method

  > init( (Dimension)arg1, (str)arg2, (int)arg3) -> None :

  > > Re-initializes the dimension object

  > > C++ signature :

  > > > void init(psi::Dimension {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,int)

`psi4.Dimension.``n`()

  Python Library Documentation: method n

  n(...) unbound psi4.Dimension method

  > n( (Dimension)arg1) -> int :

  > > The order of the dimension

  > > C++ signature :

  > > > int n(psi::Dimension {lvalue})

`psi4.Dimension.``name`()

  Python Library Documentation: property

  > The name of the dimension. Used in printing.

`psi4.Dimension.``print_out`()

  Python Library Documentation: method print_out

  print_out(...) unbound psi4.Dimension method

  > print_out( (Dimension)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_out(psi::Dimension {lvalue})

## DipoleInt

`psi4.DipoleInt.``basis`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.DipoleInt.``basis1`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.DipoleInt.``basis2`()

  Python Library Documentation: property

  > The basis set on center two

`psi4.DipoleInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.DipoleInt method

  > compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_shell(psi::OneBodyAOInt {lvalue},int,int)

`psi4.DipoleInt.``origin`()

  Python Library Documentation: property

  > The origin about which the one body ints are being computed.

`psi4.DipoleInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.DipoleInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.DipoleInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.DipoleInt method

  > set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)

## Dispersion

`psi4.Dispersion.``a1`()

  Python Library Documentation: method a1

  a1(...) unbound psi4.Dispersion method

  > a1( (Dispersion)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double a1(psi::Dispersion {lvalue})

`psi4.Dispersion.``a2`()

  Python Library Documentation: method a2

  a2(...) unbound psi4.Dispersion method

  > a2( (Dispersion)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double a2(psi::Dispersion {lvalue})

`psi4.Dispersion.``bibtex`()

  Python Library Documentation: method bibtex

  bibtex(...) unbound psi4.Dispersion method

  > bibtex( (Dispersion)arg1) -> str :

  > > Get the BibTeX key for the literature reference.

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > bibtex(psi::Dispersion {lvalue})

`psi4.Dispersion.``build`()

  Python Library Documentation: built-in function build

  build(...)

  > build( (str)arg1, (float)arg2, (float)arg3, (float)arg4, (float)arg5) -> Dispersion :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Dispersion> build(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double,double,double,double)

`psi4.Dispersion.``citation`()

  Python Library Documentation: method citation

  citation(...) unbound psi4.Dispersion method

  > citation( (Dispersion)arg1) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > citation(psi::Dispersion {lvalue})

`psi4.Dispersion.``compute_energy`()

  Python Library Documentation: method compute_energy

  compute_energy(...) unbound psi4.Dispersion method

  > compute_energy( (Dispersion)arg1, (Molecule)arg2) -> float :

  > > docstring

  > > C++ signature :

  > > > double compute_energy(psi::Dispersion {lvalue},boost::shared_ptr<psi::Molecule>)

`psi4.Dispersion.``compute_gradient`()

  Python Library Documentation: method compute_gradient

  compute_gradient(...) unbound psi4.Dispersion method

  > compute_gradient( (Dispersion)arg1, (Molecule)arg2) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> compute_gradient(psi::Dispersion {lvalue},boost::shared_ptr<psi::Molecule>)

`psi4.Dispersion.``compute_hessian`()

  Python Library Documentation: method compute_hessian

  compute_hessian(...) unbound psi4.Dispersion method

  > compute_hessian( (Dispersion)arg1, (Molecule)arg2) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> compute_hessian(psi::Dispersion {lvalue},boost::shared_ptr<psi::Molecule>)

`psi4.Dispersion.``d`()

  Python Library Documentation: method d

  d(...) unbound psi4.Dispersion method

  > d( (Dispersion)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double d(psi::Dispersion {lvalue})

`psi4.Dispersion.``description`()

  Python Library Documentation: method description

  description(...) unbound psi4.Dispersion method

  > description( (Dispersion)arg1) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > description(psi::Dispersion {lvalue})

`psi4.Dispersion.``name`()

  Python Library Documentation: method name

  name(...) unbound psi4.Dispersion method

  > name( (Dispersion)arg1) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > name(psi::Dispersion {lvalue})

`psi4.Dispersion.``print_energy`()

  Python Library Documentation: method print_energy

  print_energy(...) unbound psi4.Dispersion method

  > print_energy( (Dispersion)arg1, (Molecule)arg2) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > print_energy(psi::Dispersion {lvalue},boost::shared_ptr<psi::Molecule>)

`psi4.Dispersion.``print_gradient`()

  Python Library Documentation: method print_gradient

  print_gradient(...) unbound psi4.Dispersion method

  > print_gradient( (Dispersion)arg1, (Molecule)arg2) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > print_gradient(psi::Dispersion {lvalue},boost::shared_ptr<psi::Molecule>)

`psi4.Dispersion.``print_hessian`()

  Python Library Documentation: method print_hessian

  print_hessian(...) unbound psi4.Dispersion method

  > print_hessian( (Dispersion)arg1, (Molecule)arg2) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > print_hessian(psi::Dispersion {lvalue},boost::shared_ptr<psi::Molecule>)

`psi4.Dispersion.``print_out`()

  Python Library Documentation: method print_out

  print_out(...) unbound psi4.Dispersion method

  > print_out( (Dispersion)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_out(psi::Dispersion {lvalue})

`psi4.Dispersion.``s6`()

  Python Library Documentation: method s6

  s6(...) unbound psi4.Dispersion method

  > s6( (Dispersion)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double s6(psi::Dispersion {lvalue})

`psi4.Dispersion.``s8`()

  Python Library Documentation: method s8

  s8(...) unbound psi4.Dispersion method

  > s8( (Dispersion)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double s8(psi::Dispersion {lvalue})

`psi4.Dispersion.``set_bibtex`()

  Python Library Documentation: method set_bibtex

  set_bibtex(...) unbound psi4.Dispersion method

  > set_bibtex( (Dispersion)arg1, (str)arg2) -> None :

  > > Set the BibTeX key for the literature reference.

  > > C++ signature :

  > > > void set_bibtex(psi::Dispersion {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Dispersion.``set_citation`()

  Python Library Documentation: method set_citation

  set_citation(...) unbound psi4.Dispersion method

  > set_citation( (Dispersion)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_citation(psi::Dispersion {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Dispersion.``set_description`()

  Python Library Documentation: method set_description

  set_description(...) unbound psi4.Dispersion method

  > set_description( (Dispersion)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_description(psi::Dispersion {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Dispersion.``set_name`()

  Python Library Documentation: method set_name

  set_name(...) unbound psi4.Dispersion method

  > set_name( (Dispersion)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_name(psi::Dispersion {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Dispersion.``sr6`()

  Python Library Documentation: method sr6

  sr6(...) unbound psi4.Dispersion method

  > sr6( (Dispersion)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double sr6(psi::Dispersion {lvalue})

## DoublePyBuffer

## EFP

`psi4.EFP.``compute`()

  Python Library Documentation: method compute

  compute(...) unbound psi4.EFP method

  > compute( (EFP)arg1) -> None :

  > > Computes libefp energies and, if active, torque

  > > C++ signature :

  > > > void compute(psi::efp::EFP {lvalue})

`psi4.EFP.``nfragments`()

  Python Library Documentation: method nfragments

  nfragments(...) unbound psi4.EFP method

  > nfragments( (EFP)arg1) -> int :

  > > Returns the number of EFP fragments in the molecule

  > > C++ signature :

  > > > int nfragments(psi::efp::EFP {lvalue})

`psi4.EFP.``print_out`()

  Python Library Documentation: method print_out

  print_out(...) unbound psi4.EFP method

  > print_out( (EFP)arg1) -> None :

  > > Prints options settings and EFP and QM geometries

  > > C++ signature :

  > > > void print_out(psi::efp::EFP {lvalue})

`psi4.EFP.``set_qm_atoms`()

  Python Library Documentation: method set_qm_atoms

  set_qm_atoms(...) unbound psi4.EFP method

  > set_qm_atoms( (EFP)arg1) -> None :

  > > Provides libefp with QM fragment information

  > > C++ signature :

  > > > void set_qm_atoms(psi::efp::EFP {lvalue})

## ERI

`psi4.ERI.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.ERI method

  > compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :

  > > docstring

  > > C++ signature :

  > > > unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)

`psi4.ERI.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.ERI.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.ERI.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.ERI method

  > set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)

## ElectricFieldInt

`psi4.ElectricFieldInt.``basis`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.ElectricFieldInt.``basis1`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.ElectricFieldInt.``basis2`()

  Python Library Documentation: property

  > The basis set on center two

`psi4.ElectricFieldInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.ElectricFieldInt method

  > compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_shell(psi::OneBodyAOInt {lvalue},int,int)

`psi4.ElectricFieldInt.``origin`()

  Python Library Documentation: property

  > The origin about which the one body ints are being computed.

`psi4.ElectricFieldInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.ElectricFieldInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.ElectricFieldInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.ElectricFieldInt method

  > set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)

## ElectrostaticInt

`psi4.ElectrostaticInt.``basis`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.ElectrostaticInt.``basis1`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.ElectrostaticInt.``basis2`()

  Python Library Documentation: property

  > The basis set on center two

`psi4.ElectrostaticInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.ElectrostaticInt method

  > compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_shell(psi::OneBodyAOInt {lvalue},int,int)

`psi4.ElectrostaticInt.``origin`()

  Python Library Documentation: property

  > The origin about which the one body ints are being computed.

`psi4.ElectrostaticInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.ElectrostaticInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.ElectrostaticInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.ElectrostaticInt method

  > set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)

## Environment

## ErfComplementERI

`psi4.ErfComplementERI.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.ErfComplementERI method

  > compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :

  > > docstring

  > > C++ signature :

  > > > unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)

`psi4.ErfComplementERI.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.ErfComplementERI.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.ErfComplementERI.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.ErfComplementERI method

  > set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)

## ErfERI

`psi4.ErfERI.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.ErfERI method

  > compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :

  > > docstring

  > > C++ signature :

  > > > unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)

`psi4.ErfERI.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.ErfERI.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.ErfERI.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.ErfERI method

  > set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)

## ExternalPotential

`psi4.ExternalPotential.``addBasis`()

  Python Library Documentation: method addBasis

  addBasis(...) unbound psi4.ExternalPotential method

  > addBasis( (ExternalPotential)arg1, (BasisSet)arg2, (Vector)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void addBasis(psi::ExternalPotential {lvalue},boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::Vector>)

`psi4.ExternalPotential.``addCharge`()

  Python Library Documentation: method addCharge

  addCharge(...) unbound psi4.ExternalPotential method

  > addCharge( (ExternalPotential)arg1, (float)arg2, (float)arg3, (float)arg4, (float)arg5) -> None :

  > > docstring

  > > C++ signature :

  > > > void addCharge(psi::ExternalPotential {lvalue},double,double,double,double)

`psi4.ExternalPotential.``clear`()

  Python Library Documentation: method clear

  clear(...) unbound psi4.ExternalPotential method

  > clear( (ExternalPotential)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void clear(psi::ExternalPotential {lvalue})

`psi4.ExternalPotential.``computePotentialMatrix`()

  Python Library Documentation: method computePotentialMatrix

  computePotentialMatrix(...) unbound psi4.ExternalPotential method

  > computePotentialMatrix( (ExternalPotential)arg1, (BasisSet)arg2) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> computePotentialMatrix(psi::ExternalPotential {lvalue},boost::shared_ptr<psi::BasisSet>)

`psi4.ExternalPotential.``print_out`()

  Python Library Documentation: method print_out

  print_out(...) unbound psi4.ExternalPotential method

  > print_out( (ExternalPotential)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_out(psi::ExternalPotential {lvalue})

`psi4.ExternalPotential.``setName`()

  Python Library Documentation: method setName

  setName(...) unbound psi4.ExternalPotential method

  > setName( (ExternalPotential)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void setName(psi::ExternalPotential {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

## F12

`psi4.F12.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.F12 method

  > compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :

  > > docstring

  > > C++ signature :

  > > > unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)

`psi4.F12.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.F12.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.F12.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.F12 method

  > set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)

## F12DoubleCommutator

`psi4.F12DoubleCommutator.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.F12DoubleCommutator method

  > compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :

  > > docstring

  > > C++ signature :

  > > > unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)

`psi4.F12DoubleCommutator.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.F12DoubleCommutator.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.F12DoubleCommutator.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.F12DoubleCommutator method

  > set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)

## F12G12

`psi4.F12G12.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.F12G12 method

  > compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :

  > > docstring

  > > C++ signature :

  > > > unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)

`psi4.F12G12.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.F12G12.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.F12G12.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.F12G12 method

  > set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)

## F12Squared

`psi4.F12Squared.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.F12Squared method

  > compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :

  > > docstring

  > > C++ signature :

  > > > unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)

`psi4.F12Squared.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.F12Squared.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.F12Squared.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.F12Squared method

  > set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)

## FittedSlaterCorrelationFactor

`psi4.FittedSlaterCorrelationFactor.``exponent`()

  Python Library Documentation: method exponent

  exponent(...) unbound psi4.FittedSlaterCorrelationFactor method

  > exponent( (FittedSlaterCorrelationFactor)arg1) -> float :

  > > C++ signature :

  > > > double exponent(psi::FittedSlaterCorrelationFactor {lvalue})

`psi4.FittedSlaterCorrelationFactor.``set_params`()

  Python Library Documentation: method set_params

  set_params(...) unbound psi4.FittedSlaterCorrelationFactor method

  > set_params( (CorrelationFactor)arg1, (Vector)arg2, (Vector)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_params(psi::CorrelationFactor {lvalue},boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>)

## FittingMetric

`psi4.FittingMetric.``form_QR_inverse`()

  Python Library Documentation: method form_QR_inverse

  form_QR_inverse(...) unbound psi4.FittingMetric method

  > form_QR_inverse( (FittingMetric)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void form_QR_inverse(psi::FittingMetric {lvalue},double)

`psi4.FittingMetric.``form_cholesky_inverse`()

  Python Library Documentation: method form_cholesky_inverse

  form_cholesky_inverse(...) unbound psi4.FittingMetric method

  > form_cholesky_inverse( (FittingMetric)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void form_cholesky_inverse(psi::FittingMetric {lvalue})

`psi4.FittingMetric.``form_eig_inverse`()

  Python Library Documentation: method form_eig_inverse

  form_eig_inverse(...) unbound psi4.FittingMetric method

  > form_eig_inverse( (FittingMetric)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void form_eig_inverse(psi::FittingMetric {lvalue},double)

`psi4.FittingMetric.``form_fitting_metric`()

  Python Library Documentation: method form_fitting_metric

  form_fitting_metric(...) unbound psi4.FittingMetric method

  > form_fitting_metric( (FittingMetric)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void form_fitting_metric(psi::FittingMetric {lvalue})

`psi4.FittingMetric.``form_full_inverse`()

  Python Library Documentation: method form_full_inverse

  form_full_inverse(...) unbound psi4.FittingMetric method

  > form_full_inverse( (FittingMetric)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void form_full_inverse(psi::FittingMetric {lvalue})

`psi4.FittingMetric.``get_algorithm`()

  Python Library Documentation: method get_algorithm

  get_algorithm(...) unbound psi4.FittingMetric method

  > get_algorithm( (FittingMetric)arg1) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > get_algorithm(psi::FittingMetric {lvalue})

`psi4.FittingMetric.``get_metric`()

  Python Library Documentation: method get_metric

  get_metric(...) unbound psi4.FittingMetric method

  > get_metric( (FittingMetric)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> get_metric(psi::FittingMetric {lvalue})

`psi4.FittingMetric.``get_pivots`()

  Python Library Documentation: method get_pivots

  get_pivots(...) unbound psi4.FittingMetric method

  > get_pivots( (FittingMetric)arg1) -> IntVector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::IntVector> get_pivots(psi::FittingMetric {lvalue})

`psi4.FittingMetric.``get_reverse_pivots`()

  Python Library Documentation: method get_reverse_pivots

  get_reverse_pivots(...) unbound psi4.FittingMetric method

  > get_reverse_pivots( (FittingMetric)arg1) -> IntVector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::IntVector> get_reverse_pivots(psi::FittingMetric {lvalue})

`psi4.FittingMetric.``is_inverted`()

  Python Library Documentation: method is_inverted

  is_inverted(...) unbound psi4.FittingMetric method

  > is_inverted( (FittingMetric)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_inverted(psi::FittingMetric {lvalue})

`psi4.FittingMetric.``is_poisson`()

  Python Library Documentation: method is_poisson

  is_poisson(...) unbound psi4.FittingMetric method

  > is_poisson( (FittingMetric)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_poisson(psi::FittingMetric {lvalue})

## Functional

`psi4.Functional.``alpha`()

  Python Library Documentation: method alpha

  alpha(...) unbound psi4.Functional method

  > alpha( (Functional)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double alpha(psi::Functional {lvalue})

`psi4.Functional.``build_base`()

  Python Library Documentation: built-in function build_base

  build_base(...)

  > build_base( (str)arg1) -> Functional :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Functional> build_base(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Functional.``citation`()

  Python Library Documentation: method citation

  citation(...) unbound psi4.Functional method

  > citation( (Functional)arg1) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > citation(psi::Functional {lvalue})

`psi4.Functional.``description`()

  Python Library Documentation: method description

  description(...) unbound psi4.Functional method

  > description( (Functional)arg1) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > description(psi::Functional {lvalue})

`psi4.Functional.``is_gga`()

  Python Library Documentation: method is_gga

  is_gga(...) unbound psi4.Functional method

  > is_gga( (Functional)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_gga(psi::Functional {lvalue})

`psi4.Functional.``is_lrc`()

  Python Library Documentation: method is_lrc

  is_lrc(...) unbound psi4.Functional method

  > is_lrc( (Functional)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_lrc(psi::Functional {lvalue})

`psi4.Functional.``is_meta`()

  Python Library Documentation: method is_meta

  is_meta(...) unbound psi4.Functional method

  > is_meta( (Functional)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_meta(psi::Functional {lvalue})

`psi4.Functional.``lsda_cutoff`()

  Python Library Documentation: method lsda_cutoff

  lsda_cutoff(...) unbound psi4.Functional method

  > lsda_cutoff( (Functional)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double lsda_cutoff(psi::Functional {lvalue})

`psi4.Functional.``meta_cutoff`()

  Python Library Documentation: method meta_cutoff

  meta_cutoff(...) unbound psi4.Functional method

  > meta_cutoff( (Functional)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double meta_cutoff(psi::Functional {lvalue})

`psi4.Functional.``name`()

  Python Library Documentation: method name

  name(...) unbound psi4.Functional method

  > name( (Functional)arg1) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > name(psi::Functional {lvalue})

`psi4.Functional.``omega`()

  Python Library Documentation: method omega

  omega(...) unbound psi4.Functional method

  > omega( (Functional)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double omega(psi::Functional {lvalue})

`psi4.Functional.``print_detail`()

  Python Library Documentation: method print_detail

  print_detail(...) unbound psi4.Functional method

  > print_detail( (SuperFunctional)arg1, (int)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_detail(psi::SuperFunctional {lvalue},int)

`psi4.Functional.``print_out`()

  Python Library Documentation: method print_out

  print_out(...) unbound psi4.Functional method

  > print_out( (Functional)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_out(psi::Functional {lvalue})

`psi4.Functional.``set_alpha`()

  Python Library Documentation: method set_alpha

  set_alpha(...) unbound psi4.Functional method

  > set_alpha( (Functional)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_alpha(psi::Functional {lvalue},double)

`psi4.Functional.``set_citation`()

  Python Library Documentation: method set_citation

  set_citation(...) unbound psi4.Functional method

  > set_citation( (Functional)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_citation(psi::Functional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Functional.``set_description`()

  Python Library Documentation: method set_description

  set_description(...) unbound psi4.Functional method

  > set_description( (Functional)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_description(psi::Functional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Functional.``set_gga`()

  Python Library Documentation: method set_gga

  set_gga(...) unbound psi4.Functional method

  > set_gga( (Functional)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_gga(psi::Functional {lvalue},bool)

`psi4.Functional.``set_lsda_cutoff`()

  Python Library Documentation: method set_lsda_cutoff

  set_lsda_cutoff(...) unbound psi4.Functional method

  > set_lsda_cutoff( (Functional)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_lsda_cutoff(psi::Functional {lvalue},double)

`psi4.Functional.``set_meta`()

  Python Library Documentation: method set_meta

  set_meta(...) unbound psi4.Functional method

  > set_meta( (Functional)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_meta(psi::Functional {lvalue},bool)

`psi4.Functional.``set_meta_cutoff`()

  Python Library Documentation: method set_meta_cutoff

  set_meta_cutoff(...) unbound psi4.Functional method

  > set_meta_cutoff( (Functional)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_meta_cutoff(psi::Functional {lvalue},double)

`psi4.Functional.``set_name`()

  Python Library Documentation: method set_name

  set_name(...) unbound psi4.Functional method

  > set_name( (Functional)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_name(psi::Functional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Functional.``set_omega`()

  Python Library Documentation: method set_omega

  set_omega(...) unbound psi4.Functional method

  > set_omega( (Functional)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_omega(psi::Functional {lvalue},double)

`psi4.Functional.``set_parameter`()

  Python Library Documentation: method set_parameter

  set_parameter(...) unbound psi4.Functional method

  > set_parameter( (Functional)arg1, (str)arg2, (float)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_parameter(psi::Functional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double)

## Gaussian94BasisSetParser

## GaussianShell

`psi4.GaussianShell.``AMCHAR`()

  Python Library Documentation: property

  > docstring

`psi4.GaussianShell.``am`()

  Python Library Documentation: property

  > docstring

`psi4.GaussianShell.``amchar`()

  Python Library Documentation: property

  > docstring

`psi4.GaussianShell.``coef`()

  Python Library Documentation: method coef

  coef(...) unbound psi4.GaussianShell method

  > coef( (GaussianShell)arg1, (int)arg2) -> float :

  > > docstring

  > > C++ signature :

  > > > double coef(psi::GaussianShell {lvalue},int)

`psi4.GaussianShell.``erd_coef`()

  Python Library Documentation: method erd_coef

  erd_coef(...) unbound psi4.GaussianShell method

  > erd_coef( (GaussianShell)arg1, (int)arg2) -> float :

  > > docstring

  > > C++ signature :

  > > > double erd_coef(psi::GaussianShell {lvalue},int)

`psi4.GaussianShell.``exp`()

  Python Library Documentation: method exp

  exp(...) unbound psi4.GaussianShell method

  > exp( (GaussianShell)arg1, (int)arg2) -> float :

  > > Returns the exponent of the given primitive

  > > C++ signature :

  > > > double exp(psi::GaussianShell {lvalue},int)

`psi4.GaussianShell.``function_index`()

  Python Library Documentation: property

  > Basis function index where this shell starts.

`psi4.GaussianShell.``is_cartesian`()

  Python Library Documentation: method is_cartesian

  is_cartesian(...) unbound psi4.GaussianShell method

  > is_cartesian( (GaussianShell)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_cartesian(psi::GaussianShell {lvalue})

`psi4.GaussianShell.``is_pure`()

  Python Library Documentation: method is_pure

  is_pure(...) unbound psi4.GaussianShell method

  > is_pure( (GaussianShell)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_pure(psi::GaussianShell {lvalue})

`psi4.GaussianShell.``ncartesian`()

  Python Library Documentation: property

  > docstring

`psi4.GaussianShell.``ncenter`()

  Python Library Documentation: property

  > docstring

`psi4.GaussianShell.``nfunction`()

  Python Library Documentation: property

  > docstring

`psi4.GaussianShell.``nprimitive`()

  Python Library Documentation: property

  > docstring

`psi4.GaussianShell.``original_coef`()

  Python Library Documentation: method original_coef

  original_coef(...) unbound psi4.GaussianShell method

  > original_coef( (GaussianShell)arg1, (int)arg2) -> float :

  > > docstring

  > > C++ signature :

  > > > double original_coef(psi::GaussianShell {lvalue},int)

## GeometryUnits

`psi4.GeometryUnits.``Angstrom`()

  Python Library Documentation: GeometryUnits in module psi4 object

  class GeometryUnits(Boost.Python.enum)

  > docstring
  > Method resolution order:
  > GeometryUnits
  > Boost.Python.enum
  > __builtin__.int
  > __builtin__.object
  > Data and other attributes defined here:
  > Angstrom = psi4.GeometryUnits.Angstrom
  > Bohr = psi4.GeometryUnits.Bohr
  > names = {‘Angstrom’: psi4.GeometryUnits.Angstrom, ‘Bohr’: psi4.Geometr...
  > values = {0: psi4.GeometryUnits.Angstrom, 1: psi4.GeometryUnits.Bohr}
  > ———————————————————————-
  > Methods inherited from Boost.Python.enum:
  > __repr__(...)
  > x.__repr__() <==> repr(x)
  > __str__(...)
  > x.__str__() <==> str(x)
  > ———————————————————————-
  > Data descriptors inherited from Boost.Python.enum:
  > name
  > ———————————————————————-
  > Methods inherited from __builtin__.int:
  > __abs__(...)
  > x.__abs__() <==> abs(x)
  > __add__(...)
  > x.__add__(y) <==> x+y
  > __and__(...)
  > x.__and__(y) <==> x&y
  > __cmp__(...)
  > x.__cmp__(y) <==> cmp(x,y)
  > __coerce__(...)
  > x.__coerce__(y) <==> coerce(x, y)
  > __div__(...)
  > x.__div__(y) <==> x/y
  > __divmod__(...)
  > x.__divmod__(y) <==> divmod(x, y)
  > __float__(...)
  > x.__float__() <==> float(x)
  > __floordiv__(...)
  > x.__floordiv__(y) <==> x//y
  > __format__(...)
  > __getattribute__(...)
  > x.__getattribute__(‘name’) <==> x.name
  > __getnewargs__(...)
  > __hash__(...)
  > x.__hash__() <==> hash(x)
  > __hex__(...)
  > x.__hex__() <==> hex(x)
  > __index__(...)
  > x[y:z] <==> x[y.__index__():z.__index__()]
  > __int__(...)
  > x.__int__() <==> int(x)
  > __invert__(...)
  > x.__invert__() <==> ~x
  > __long__(...)
  > x.__long__() <==> long(x)
  > __lshift__(...)
  > x.__lshift__(y) <==> x<<y
  > __mod__(...)
  > x.__mod__(y) <==> x%y
  > __mul__(...)
  > x.__mul__(y) <==> x*y
  > __neg__(...)
  > x.__neg__() <==> -x
  > __nonzero__(...)
  > x.__nonzero__() <==> x != 0
  > __oct__(...)
  > x.__oct__() <==> oct(x)
  > __or__(...)
  > x.__or__(y) <==> x|y
  > __pos__(...)
  > x.__pos__() <==> +x
  > __pow__(...)
  > x.__pow__(y[, z]) <==> pow(x, y[, z])
  > __radd__(...)
  > x.__radd__(y) <==> y+x
  > __rand__(...)
  > x.__rand__(y) <==> y&x
  > __rdiv__(...)
  > x.__rdiv__(y) <==> y/x
  > __rdivmod__(...)
  > x.__rdivmod__(y) <==> divmod(y, x)
  > __rfloordiv__(...)
  > x.__rfloordiv__(y) <==> y//x
  > __rlshift__(...)
  > x.__rlshift__(y) <==> y<<x
  > __rmod__(...)
  > x.__rmod__(y) <==> y%x
  > __rmul__(...)
  > x.__rmul__(y) <==> y*x
  > __ror__(...)
  > x.__ror__(y) <==> y|x
  > __rpow__(...)
  > y.__rpow__(x[, z]) <==> pow(x, y[, z])
  > __rrshift__(...)
  > x.__rrshift__(y) <==> y>>x
  > __rshift__(...)
  > x.__rshift__(y) <==> x>>y
  > __rsub__(...)
  > x.__rsub__(y) <==> y-x
  > __rtruediv__(...)
  > x.__rtruediv__(y) <==> y/x
  > __rxor__(...)
  > x.__rxor__(y) <==> y^x
  > __sub__(...)
  > x.__sub__(y) <==> x-y
  > __truediv__(...)
  > x.__truediv__(y) <==> x/y
  > __trunc__(...)
  > Truncating an Integral returns itself.
  > __xor__(...)
  > x.__xor__(y) <==> x^y
  > bit_length(...)
  > int.bit_length() -> int
  > Number of bits necessary to represent self in binary.
  > >>> bin(37)
  > ‘0b100101’
  > >>> (37).bit_length()
  > 6
  > conjugate(...)
  > Returns self, the complex conjugate of any int.
  > ———————————————————————-
  > Data descriptors inherited from __builtin__.int:
  > denominator
  > the denominator of a rational number in lowest terms
  > imag
  > the imaginary part of a complex number
  > numerator
  > the numerator of a rational number in lowest terms
  > real
  > the real part of a complex number
  > ———————————————————————-
  > Data and other attributes inherited from __builtin__.int:
  > __new__ = <built-in method __new__ of type object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

`psi4.GeometryUnits.``Bohr`()

  Python Library Documentation: GeometryUnits in module psi4 object

  class GeometryUnits(Boost.Python.enum)

  > docstring
  > Method resolution order:
  > GeometryUnits
  > Boost.Python.enum
  > __builtin__.int
  > __builtin__.object
  > Data and other attributes defined here:
  > Angstrom = psi4.GeometryUnits.Angstrom
  > Bohr = psi4.GeometryUnits.Bohr
  > names = {‘Angstrom’: psi4.GeometryUnits.Angstrom, ‘Bohr’: psi4.Geometr...
  > values = {0: psi4.GeometryUnits.Angstrom, 1: psi4.GeometryUnits.Bohr}
  > ———————————————————————-
  > Methods inherited from Boost.Python.enum:
  > __repr__(...)
  > x.__repr__() <==> repr(x)
  > __str__(...)
  > x.__str__() <==> str(x)
  > ———————————————————————-
  > Data descriptors inherited from Boost.Python.enum:
  > name
  > ———————————————————————-
  > Methods inherited from __builtin__.int:
  > __abs__(...)
  > x.__abs__() <==> abs(x)
  > __add__(...)
  > x.__add__(y) <==> x+y
  > __and__(...)
  > x.__and__(y) <==> x&y
  > __cmp__(...)
  > x.__cmp__(y) <==> cmp(x,y)
  > __coerce__(...)
  > x.__coerce__(y) <==> coerce(x, y)
  > __div__(...)
  > x.__div__(y) <==> x/y
  > __divmod__(...)
  > x.__divmod__(y) <==> divmod(x, y)
  > __float__(...)
  > x.__float__() <==> float(x)
  > __floordiv__(...)
  > x.__floordiv__(y) <==> x//y
  > __format__(...)
  > __getattribute__(...)
  > x.__getattribute__(‘name’) <==> x.name
  > __getnewargs__(...)
  > __hash__(...)
  > x.__hash__() <==> hash(x)
  > __hex__(...)
  > x.__hex__() <==> hex(x)
  > __index__(...)
  > x[y:z] <==> x[y.__index__():z.__index__()]
  > __int__(...)
  > x.__int__() <==> int(x)
  > __invert__(...)
  > x.__invert__() <==> ~x
  > __long__(...)
  > x.__long__() <==> long(x)
  > __lshift__(...)
  > x.__lshift__(y) <==> x<<y
  > __mod__(...)
  > x.__mod__(y) <==> x%y
  > __mul__(...)
  > x.__mul__(y) <==> x*y
  > __neg__(...)
  > x.__neg__() <==> -x
  > __nonzero__(...)
  > x.__nonzero__() <==> x != 0
  > __oct__(...)
  > x.__oct__() <==> oct(x)
  > __or__(...)
  > x.__or__(y) <==> x|y
  > __pos__(...)
  > x.__pos__() <==> +x
  > __pow__(...)
  > x.__pow__(y[, z]) <==> pow(x, y[, z])
  > __radd__(...)
  > x.__radd__(y) <==> y+x
  > __rand__(...)
  > x.__rand__(y) <==> y&x
  > __rdiv__(...)
  > x.__rdiv__(y) <==> y/x
  > __rdivmod__(...)
  > x.__rdivmod__(y) <==> divmod(y, x)
  > __rfloordiv__(...)
  > x.__rfloordiv__(y) <==> y//x
  > __rlshift__(...)
  > x.__rlshift__(y) <==> y<<x
  > __rmod__(...)
  > x.__rmod__(y) <==> y%x
  > __rmul__(...)
  > x.__rmul__(y) <==> y*x
  > __ror__(...)
  > x.__ror__(y) <==> y|x
  > __rpow__(...)
  > y.__rpow__(x[, z]) <==> pow(x, y[, z])
  > __rrshift__(...)
  > x.__rrshift__(y) <==> y>>x
  > __rshift__(...)
  > x.__rshift__(y) <==> x>>y
  > __rsub__(...)
  > x.__rsub__(y) <==> y-x
  > __rtruediv__(...)
  > x.__rtruediv__(y) <==> y/x
  > __rxor__(...)
  > x.__rxor__(y) <==> y^x
  > __sub__(...)
  > x.__sub__(y) <==> x-y
  > __truediv__(...)
  > x.__truediv__(y) <==> x/y
  > __trunc__(...)
  > Truncating an Integral returns itself.
  > __xor__(...)
  > x.__xor__(y) <==> x^y
  > bit_length(...)
  > int.bit_length() -> int
  > Number of bits necessary to represent self in binary.
  > >>> bin(37)
  > ‘0b100101’
  > >>> (37).bit_length()
  > 6
  > conjugate(...)
  > Returns self, the complex conjugate of any int.
  > ———————————————————————-
  > Data descriptors inherited from __builtin__.int:
  > denominator
  > the denominator of a rational number in lowest terms
  > imag
  > the imaginary part of a complex number
  > numerator
  > the numerator of a rational number in lowest terms
  > real
  > the real part of a complex number
  > ———————————————————————-
  > Data and other attributes inherited from __builtin__.int:
  > __new__ = <built-in method __new__ of type object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

`psi4.GeometryUnits.``bit_length`()

  Python Library Documentation: method_descriptor

  bit_length(...)

  > int.bit_length() -> int

  > Number of bits necessary to represent self in binary.

  >     >>> bin(37)

  > ‘0b100101’

  >     >>> (37).bit_length()

  > 6

`psi4.GeometryUnits.``conjugate`()

  Python Library Documentation: method_descriptor

  conjugate(...)

  > Returns self, the complex conjugate of any int.

`psi4.GeometryUnits.``denominator`()

  Python Library Documentation: getset descriptor __builtin__.int.denominator

  denominator

  > the denominator of a rational number in lowest terms

`psi4.GeometryUnits.``imag`()

  Python Library Documentation: getset descriptor __builtin__.int.imag

  imag

  > the imaginary part of a complex number

`psi4.GeometryUnits.``name`()

  Python Library Documentation: member descriptor Boost.Python.enum.name

  name

`psi4.GeometryUnits.``names`()

  Python Library Documentation: dict object

  class dict(object)

  > dict() -> new empty dictionary
  > dict(mapping) -> new dictionary initialized from a mapping object’s
  > (key, value) pairs
  > dict(iterable) -> new dictionary initialized as if via:
  > d = {}
  > for k, v in iterable:
  > d[k] = v
  > dict(**kwargs) -> new dictionary initialized with the name=value pairs
  > in the keyword argument list. For example: dict(one=1, two=2)
  > Methods defined here:
  > __cmp__(...)
  > x.__cmp__(y) <==> cmp(x,y)
  > __contains__(...)
  > D.__contains__(k) -> True if D has a key k, else False
  > __delitem__(...)
  > x.__delitem__(y) <==> del x[y]
  > __eq__(...)
  > x.__eq__(y) <==> x==y
  > __ge__(...)
  > x.__ge__(y) <==> x>=y
  > __getattribute__(...)
  > x.__getattribute__(‘name’) <==> x.name
  > __getitem__(...)
  > x.__getitem__(y) <==> x[y]
  > __gt__(...)
  > x.__gt__(y) <==> x>y
  > __init__(...)
  > x.__init__(...) initializes x; see help(type(x)) for signature
  > __iter__(...)
  > x.__iter__() <==> iter(x)
  > __le__(...)
  > x.__le__(y) <==> x<=y
  > __len__(...)
  > x.__len__() <==> len(x)
  > __lt__(...)
  > x.__lt__(y) <==> x<y
  > __ne__(...)
  > x.__ne__(y) <==> x!=y
  > __repr__(...)
  > x.__repr__() <==> repr(x)
  > __setitem__(...)
  > x.__setitem__(i, y) <==> x[i]=y
  > __sizeof__(...)
  > D.__sizeof__() -> size of D in memory, in bytes
  > clear(...)
  > D.clear() -> None. Remove all items from D.
  > copy(...)
  > D.copy() -> a shallow copy of D
  > fromkeys(...)
  > dict.fromkeys(S[,v]) -> New dict with keys from S and values equal to v.
  > v defaults to None.
  > get(...)
  > D.get(k[,d]) -> D[k] if k in D, else d. d defaults to None.
  > has_key(...)
  > D.has_key(k) -> True if D has a key k, else False
  > items(...)
  > D.items() -> list of D’s (key, value) pairs, as 2-tuples
  > iteritems(...)
  > D.iteritems() -> an iterator over the (key, value) items of D
  > iterkeys(...)
  > D.iterkeys() -> an iterator over the keys of D
  > itervalues(...)
  > D.itervalues() -> an iterator over the values of D
  > keys(...)
  > D.keys() -> list of D’s keys
  > pop(...)
  > D.pop(k[,d]) -> v, remove specified key and return the corresponding value.
  > If key is not found, d is returned if given, otherwise KeyError is raised
  > popitem(...)
  > D.popitem() -> (k, v), remove and return some (key, value) pair as a
  > 2-tuple; but raise KeyError if D is empty.
  > setdefault(...)
  > D.setdefault(k[,d]) -> D.get(k,d), also set D[k]=d if k not in D
  > update(...)
  > D.update([E, ]**F) -> None. Update D from dict/iterable E and F.
  > If E present and has a .keys() method, does: for k in E: D[k] = E[k]
  > If E present and lacks .keys() method, does: for (k, v) in E: D[k] = v
  > In either case, this is followed by: for k in F: D[k] = F[k]
  > values(...)
  > D.values() -> list of D’s values
  > viewitems(...)
  > D.viewitems() -> a set-like object providing a view on D’s items
  > viewkeys(...)
  > D.viewkeys() -> a set-like object providing a view on D’s keys
  > viewvalues(...)
  > D.viewvalues() -> an object providing a view on D’s values
  > ———————————————————————-
  > Data and other attributes defined here:
  > __hash__ = None
  > __new__ = <built-in method __new__ of type object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

`psi4.GeometryUnits.``numerator`()

  Python Library Documentation: getset descriptor __builtin__.int.numerator

  numerator

  > the numerator of a rational number in lowest terms

`psi4.GeometryUnits.``real`()

  Python Library Documentation: getset descriptor __builtin__.int.real

  real

  > the real part of a complex number

`psi4.GeometryUnits.``values`()

  Python Library Documentation: dict object

  class dict(object)

  > dict() -> new empty dictionary
  > dict(mapping) -> new dictionary initialized from a mapping object’s
  > (key, value) pairs
  > dict(iterable) -> new dictionary initialized as if via:
  > d = {}
  > for k, v in iterable:
  > d[k] = v
  > dict(**kwargs) -> new dictionary initialized with the name=value pairs
  > in the keyword argument list. For example: dict(one=1, two=2)
  > Methods defined here:
  > __cmp__(...)
  > x.__cmp__(y) <==> cmp(x,y)
  > __contains__(...)
  > D.__contains__(k) -> True if D has a key k, else False
  > __delitem__(...)
  > x.__delitem__(y) <==> del x[y]
  > __eq__(...)
  > x.__eq__(y) <==> x==y
  > __ge__(...)
  > x.__ge__(y) <==> x>=y
  > __getattribute__(...)
  > x.__getattribute__(‘name’) <==> x.name
  > __getitem__(...)
  > x.__getitem__(y) <==> x[y]
  > __gt__(...)
  > x.__gt__(y) <==> x>y
  > __init__(...)
  > x.__init__(...) initializes x; see help(type(x)) for signature
  > __iter__(...)
  > x.__iter__() <==> iter(x)
  > __le__(...)
  > x.__le__(y) <==> x<=y
  > __len__(...)
  > x.__len__() <==> len(x)
  > __lt__(...)
  > x.__lt__(y) <==> x<y
  > __ne__(...)
  > x.__ne__(y) <==> x!=y
  > __repr__(...)
  > x.__repr__() <==> repr(x)
  > __setitem__(...)
  > x.__setitem__(i, y) <==> x[i]=y
  > __sizeof__(...)
  > D.__sizeof__() -> size of D in memory, in bytes
  > clear(...)
  > D.clear() -> None. Remove all items from D.
  > copy(...)
  > D.copy() -> a shallow copy of D
  > fromkeys(...)
  > dict.fromkeys(S[,v]) -> New dict with keys from S and values equal to v.
  > v defaults to None.
  > get(...)
  > D.get(k[,d]) -> D[k] if k in D, else d. d defaults to None.
  > has_key(...)
  > D.has_key(k) -> True if D has a key k, else False
  > items(...)
  > D.items() -> list of D’s (key, value) pairs, as 2-tuples
  > iteritems(...)
  > D.iteritems() -> an iterator over the (key, value) items of D
  > iterkeys(...)
  > D.iterkeys() -> an iterator over the keys of D
  > itervalues(...)
  > D.itervalues() -> an iterator over the values of D
  > keys(...)
  > D.keys() -> list of D’s keys
  > pop(...)
  > D.pop(k[,d]) -> v, remove specified key and return the corresponding value.
  > If key is not found, d is returned if given, otherwise KeyError is raised
  > popitem(...)
  > D.popitem() -> (k, v), remove and return some (key, value) pair as a
  > 2-tuple; but raise KeyError if D is empty.
  > setdefault(...)
  > D.setdefault(k[,d]) -> D.get(k,d), also set D[k]=d if k not in D
  > update(...)
  > D.update([E, ]**F) -> None. Update D from dict/iterable E and F.
  > If E present and has a .keys() method, does: for k in E: D[k] = E[k]
  > If E present and lacks .keys() method, does: for (k, v) in E: D[k] = v
  > In either case, this is followed by: for k in F: D[k] = F[k]
  > values(...)
  > D.values() -> list of D’s values
  > viewitems(...)
  > D.viewitems() -> a set-like object providing a view on D’s items
  > viewkeys(...)
  > D.viewkeys() -> a set-like object providing a view on D’s keys
  > viewvalues(...)
  > D.viewvalues() -> an object providing a view on D’s values
  > ———————————————————————-
  > Data and other attributes defined here:
  > __hash__ = None
  > __new__ = <built-in method __new__ of type object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

## HF

`psi4.HF.``Ca`()

  Python Library Documentation: method Ca

  Ca(...) unbound psi4.HF method

  > Ca( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Ca(psi::Wavefunction {lvalue})

`psi4.HF.``Ca_subset`()

  Python Library Documentation: method Ca_subset

  Ca_subset(...) unbound psi4.HF method

  > Ca_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Ca_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.HF.``Cb`()

  Python Library Documentation: method Cb

  Cb(...) unbound psi4.HF method

  > Cb( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Cb(psi::Wavefunction {lvalue})

`psi4.HF.``Cb_subset`()

  Python Library Documentation: method Cb_subset

  Cb_subset(...) unbound psi4.HF method

  > Cb_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Cb_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.HF.``Da`()

  Python Library Documentation: method Da

  Da(...) unbound psi4.HF method

  > Da( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Da(psi::Wavefunction {lvalue})

`psi4.HF.``Db`()

  Python Library Documentation: method Db

  Db(...) unbound psi4.HF method

  > Db( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Db(psi::Wavefunction {lvalue})

`psi4.HF.``Fa`()

  Python Library Documentation: method Fa

  Fa(...) unbound psi4.HF method

  > Fa( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Fa(psi::Wavefunction {lvalue})

`psi4.HF.``Fb`()

  Python Library Documentation: method Fb

  Fb(...) unbound psi4.HF method

  > Fb( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Fb(psi::Wavefunction {lvalue})

`psi4.HF.``TPDM`()

  Python Library Documentation: method TPDM

  TPDM(...) unbound psi4.HF method

  > TPDM( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> TPDM(psi::Wavefunction {lvalue})

`psi4.HF.``X`()

  Python Library Documentation: method X

  X(...) unbound psi4.HF method

  > X( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> X(psi::Wavefunction {lvalue})

`psi4.HF.``add_postiteration_callback`()

  Python Library Documentation: method add_postiteration_callback

  add_postiteration_callback(...) unbound psi4.HF method

  > add_postiteration_callback( (Wavefunction)arg1, (object)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void add_postiteration_callback(psi::Wavefunction {lvalue},_object*)

`psi4.HF.``add_preiteration_callback`()

  Python Library Documentation: method add_preiteration_callback

  add_preiteration_callback(...) unbound psi4.HF method

  > add_preiteration_callback( (Wavefunction)arg1, (object)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void add_preiteration_callback(psi::Wavefunction {lvalue},_object*)

`psi4.HF.``alpha_orbital_space`()

  Python Library Documentation: method alpha_orbital_space

  alpha_orbital_space(...) unbound psi4.HF method

  > alpha_orbital_space( (Wavefunction)arg1, (str)arg2, (str)arg3, (str)arg4) -> OrbitalSpace :

  > > docstring

  > > C++ signature :

  > > > psi::OrbitalSpace alpha_orbital_space(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.HF.``aotoso`()

  Python Library Documentation: method aotoso

  aotoso(...) unbound psi4.HF method

  > aotoso( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> aotoso(psi::Wavefunction {lvalue})

`psi4.HF.``atomic_point_charges`()

  Python Library Documentation: method atomic_point_charges

  atomic_point_charges(...) unbound psi4.HF method

  > atomic_point_charges( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> atomic_point_charges(psi::Wavefunction {lvalue})

`psi4.HF.``basisset`()

  Python Library Documentation: method basisset

  basisset(...) unbound psi4.HF method

  > basisset( (Wavefunction)arg1) -> BasisSet :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::BasisSet> basisset(psi::Wavefunction {lvalue})

`psi4.HF.``beta_orbital_space`()

  Python Library Documentation: method beta_orbital_space

  beta_orbital_space(...) unbound psi4.HF method

  > beta_orbital_space( (Wavefunction)arg1, (str)arg2, (str)arg3, (str)arg4) -> OrbitalSpace :

  > > docstring

  > > C++ signature :

  > > > psi::OrbitalSpace beta_orbital_space(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.HF.``doccpi`()

  Python Library Documentation: method doccpi

  doccpi(...) unbound psi4.HF method

  > doccpi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension doccpi(psi::Wavefunction {lvalue})

`psi4.HF.``energy`()

  Python Library Documentation: method energy

  energy(...) unbound psi4.HF method

  > energy( (Wavefunction)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double energy(psi::Wavefunction {lvalue})

`psi4.HF.``epsilon_a`()

  Python Library Documentation: method epsilon_a

  epsilon_a(...) unbound psi4.HF method

  > epsilon_a( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> epsilon_a(psi::Wavefunction {lvalue})

`psi4.HF.``epsilon_a_subset`()

  Python Library Documentation: method epsilon_a_subset

  epsilon_a_subset(...) unbound psi4.HF method

  > epsilon_a_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> epsilon_a_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.HF.``epsilon_b`()

  Python Library Documentation: method epsilon_b

  epsilon_b(...) unbound psi4.HF method

  > epsilon_b( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> epsilon_b(psi::Wavefunction {lvalue})

`psi4.HF.``epsilon_b_subset`()

  Python Library Documentation: method epsilon_b_subset

  epsilon_b_subset(...) unbound psi4.HF method

  > epsilon_b_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> epsilon_b_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.HF.``frequencies`()

  Python Library Documentation: method frequencies

  frequencies(...) unbound psi4.HF method

  > frequencies( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> frequencies(psi::Wavefunction {lvalue})

`psi4.HF.``frzcpi`()

  Python Library Documentation: method frzcpi

  frzcpi(...) unbound psi4.HF method

  > frzcpi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension frzcpi(psi::Wavefunction {lvalue})

`psi4.HF.``frzvpi`()

  Python Library Documentation: method frzvpi

  frzvpi(...) unbound psi4.HF method

  > frzvpi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension frzvpi(psi::Wavefunction {lvalue})

`psi4.HF.``gradient`()

  Python Library Documentation: method gradient

  gradient(...) unbound psi4.HF method

  > gradient( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> gradient(psi::Wavefunction {lvalue})

`psi4.HF.``molecule`()

  Python Library Documentation: method molecule

  molecule(...) unbound psi4.HF method

  > molecule( (Wavefunction)arg1) -> Molecule :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Molecule> molecule(psi::Wavefunction {lvalue})

`psi4.HF.``nalpha`()

  Python Library Documentation: method nalpha

  nalpha(...) unbound psi4.HF method

  > nalpha( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nalpha(psi::Wavefunction {lvalue})

  > nalpha( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nalpha(psi::Wavefunction {lvalue})

`psi4.HF.``nalphapi`()

  Python Library Documentation: method nalphapi

  nalphapi(...) unbound psi4.HF method

  > nalphapi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension nalphapi(psi::Wavefunction {lvalue})

`psi4.HF.``nbeta`()

  Python Library Documentation: method nbeta

  nbeta(...) unbound psi4.HF method

  > nbeta( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nbeta(psi::Wavefunction {lvalue})

  > nbeta( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nbeta(psi::Wavefunction {lvalue})

`psi4.HF.``nbetapi`()

  Python Library Documentation: method nbetapi

  nbetapi(...) unbound psi4.HF method

  > nbetapi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension nbetapi(psi::Wavefunction {lvalue})

`psi4.HF.``nfrzc`()

  Python Library Documentation: method nfrzc

  nfrzc(...) unbound psi4.HF method

  > nfrzc( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nfrzc(psi::Wavefunction {lvalue})

`psi4.HF.``nirrep`()

  Python Library Documentation: method nirrep

  nirrep(...) unbound psi4.HF method

  > nirrep( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nirrep(psi::Wavefunction {lvalue})

`psi4.HF.``nmo`()

  Python Library Documentation: method nmo

  nmo(...) unbound psi4.HF method

  > nmo( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nmo(psi::Wavefunction {lvalue})

`psi4.HF.``nmopi`()

  Python Library Documentation: method nmopi

  nmopi(...) unbound psi4.HF method

  > nmopi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension nmopi(psi::Wavefunction {lvalue})

`psi4.HF.``normalmodes`()

  Python Library Documentation: method normalmodes

  normalmodes(...) unbound psi4.HF method

  > normalmodes( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> normalmodes(psi::Wavefunction {lvalue})

`psi4.HF.``nso`()

  Python Library Documentation: method nso

  nso(...) unbound psi4.HF method

  > nso( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nso(psi::Wavefunction {lvalue})

`psi4.HF.``nsopi`()

  Python Library Documentation: method nsopi

  nsopi(...) unbound psi4.HF method

  > nsopi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension nsopi(psi::Wavefunction {lvalue})

`psi4.HF.``sobasisset`()

  Python Library Documentation: method sobasisset

  sobasisset(...) unbound psi4.HF method

  > sobasisset( (Wavefunction)arg1) -> SOBasisSet :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::SOBasisSet> sobasisset(psi::Wavefunction {lvalue})

`psi4.HF.``soccpi`()

  Python Library Documentation: method soccpi

  soccpi(...) unbound psi4.HF method

  > soccpi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension soccpi(psi::Wavefunction {lvalue})

## IO

`psi4.IO.``change_file_namespace`()

  Python Library Documentation: built-in function change_file_namespace

  change_file_namespace(...)

  > change_file_namespace( (int)arg1, (str)arg2, (str)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void change_file_namespace(unsigned int,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.IO.``close`()

  Python Library Documentation: method close

  close(...) unbound psi4.IO method

  > close( (IO)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void close(psi::PSIO {lvalue},unsigned int,int)

`psi4.IO.``get_default_namespace`()

  Python Library Documentation: built-in function get_default_namespace

  get_default_namespace(...)

  > get_default_namespace() -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > get_default_namespace()

`psi4.IO.``open`()

  Python Library Documentation: method open

  open(...) unbound psi4.IO method

  > open( (IO)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void open(psi::PSIO {lvalue},unsigned int,int)

`psi4.IO.``open_check`()

  Python Library Documentation: method open_check

  open_check(...) unbound psi4.IO method

  > open_check( (IO)arg1, (int)arg2) -> int :

  > > docstring

  > > C++ signature :

  > > > int open_check(psi::PSIO {lvalue},unsigned int)

`psi4.IO.``rehash`()

  Python Library Documentation: method rehash

  rehash(...) unbound psi4.IO method

  > rehash( (IO)arg1, (int)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void rehash(psi::PSIO {lvalue},unsigned int)

`psi4.IO.``set_default_namespace`()

  Python Library Documentation: built-in function set_default_namespace

  set_default_namespace(...)

  > set_default_namespace( (str)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_default_namespace(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.IO.``set_pid`()

  Python Library Documentation: method set_pid

  set_pid(...) unbound psi4.IO method

  > set_pid( (IO)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_pid(psi::PSIO {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.IO.``shared_object`()

  Python Library Documentation: built-in function shared_object

  shared_object(...)

  > shared_object() -> IO :

  > > C++ signature :

  > > > boost::shared_ptr<psi::PSIO> shared_object()

`psi4.IO.``state`()

  Python Library Documentation: method state

  state(...) unbound psi4.IO method

  > state( (IO)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int state(psi::PSIO {lvalue})

`psi4.IO.``tocclean`()

  Python Library Documentation: method tocclean

  tocclean(...) unbound psi4.IO method

  > tocclean( (IO)arg1, (int)arg2, (str)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void tocclean(psi::PSIO {lvalue},unsigned int,char const*)

`psi4.IO.``tocprint`()

  Python Library Documentation: method tocprint

  tocprint(...) unbound psi4.IO method

  > tocprint( (IO)arg1, (int)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void tocprint(psi::PSIO {lvalue},unsigned int)

`psi4.IO.``tocwrite`()

  Python Library Documentation: method tocwrite

  tocwrite(...) unbound psi4.IO method

  > tocwrite( (IO)arg1, (int)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void tocwrite(psi::PSIO {lvalue},unsigned int)

## IOManager

`psi4.IOManager.``crashclean`()

  Python Library Documentation: method crashclean

  crashclean(...) unbound psi4.IOManager method

  > crashclean( (IOManager)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void crashclean(psi::PSIOManager {lvalue})

`psi4.IOManager.``get_default_path`()

  Python Library Documentation: method get_default_path

  get_default_path(...) unbound psi4.IOManager method

  > get_default_path( (IOManager)arg1) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > get_default_path(psi::PSIOManager {lvalue})

`psi4.IOManager.``get_file_path`()

  Python Library Documentation: method get_file_path

  get_file_path(...) unbound psi4.IOManager method

  > get_file_path( (IOManager)arg1, (int)arg2) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > get_file_path(psi::PSIOManager {lvalue},int)

`psi4.IOManager.``mark_file_for_retention`()

  Python Library Documentation: method mark_file_for_retention

  mark_file_for_retention(...) unbound psi4.IOManager method

  > mark_file_for_retention( (IOManager)arg1, (str)arg2, (bool)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void mark_file_for_retention(psi::PSIOManager {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,bool)

`psi4.IOManager.``print_out`()

  Python Library Documentation: method print_out

  print_out(...) unbound psi4.IOManager method

  > print_out( (IOManager)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_out(psi::PSIOManager {lvalue})

`psi4.IOManager.``psiclean`()

  Python Library Documentation: method psiclean

  psiclean(...) unbound psi4.IOManager method

  > psiclean( (IOManager)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void psiclean(psi::PSIOManager {lvalue})

`psi4.IOManager.``set_default_path`()

  Python Library Documentation: method set_default_path

  set_default_path(...) unbound psi4.IOManager method

  > set_default_path( (IOManager)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_default_path(psi::PSIOManager {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.IOManager.``set_specific_path`()

  Python Library Documentation: method set_specific_path

  set_specific_path(...) unbound psi4.IOManager method

  > set_specific_path( (IOManager)arg1, (int)arg2, (str)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_specific_path(psi::PSIOManager {lvalue},int,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.IOManager.``set_specific_retention`()

  Python Library Documentation: method set_specific_retention

  set_specific_retention(...) unbound psi4.IOManager method

  > set_specific_retention( (IOManager)arg1, (int)arg2, (bool)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_specific_retention(psi::PSIOManager {lvalue},int,bool)

`psi4.IOManager.``shared_object`()

  Python Library Documentation: built-in function shared_object

  shared_object(...)

  > shared_object() -> IOManager :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::PSIOManager> shared_object()

`psi4.IOManager.``write_scratch_file`()

  Python Library Documentation: method write_scratch_file

  write_scratch_file(...) unbound psi4.IOManager method

  > write_scratch_file( (IOManager)arg1, (str)arg2, (str)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void write_scratch_file(psi::PSIOManager {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

## IntVector

`psi4.IntVector.``dim`()

  Python Library Documentation: method dim

  dim(...) unbound psi4.IntVector method

  > dim( (IntVector)arg1, (int)arg2) -> int :

  > > docstring

  > > C++ signature :

  > > > int dim(psi::IntVector {lvalue},int)

`psi4.IntVector.``get`()

  Python Library Documentation: method get

  get(...) unbound psi4.IntVector method

  > get( (IntVector)arg1, (int)arg2, (int)arg3) -> int :

  > > docstring

  > > C++ signature :

  > > > int get(psi::IntVector {lvalue},int,int)

`psi4.IntVector.``nirrep`()

  Python Library Documentation: method nirrep

  nirrep(...) unbound psi4.IntVector method

  > nirrep( (IntVector)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nirrep(psi::IntVector {lvalue})

`psi4.IntVector.``print_out`()

  Python Library Documentation: method print_out

  print_out(...) unbound psi4.IntVector method

  > print_out( (IntVector)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_out(psi::IntVector {lvalue})

`psi4.IntVector.``set`()

  Python Library Documentation: method set

  set(...) unbound psi4.IntVector method

  > set( (IntVector)arg1, (int)arg2, (int)arg3, (int)arg4) -> None :

  > > docstring

  > > C++ signature :

  > > > void set(psi::IntVector {lvalue},int,int,int)

## IntegralFactory

`psi4.IntegralFactory.``ao_angular_momentum`()

  Python Library Documentation: method ao_angular_momentum

  ao_angular_momentum(...) unbound psi4.IntegralFactory method

  > ao_angular_momentum( (IntegralFactory)arg1 [, (int)arg2]) -> OneBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::OneBodyAOInt* ao_angular_momentum(psi::IntegralFactory {lvalue} [,int])

`psi4.IntegralFactory.``ao_dipole`()

  Python Library Documentation: method ao_dipole

  ao_dipole(...) unbound psi4.IntegralFactory method

  > ao_dipole( (IntegralFactory)arg1 [, (int)arg2]) -> OneBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::OneBodyAOInt* ao_dipole(psi::IntegralFactory {lvalue} [,int])

`psi4.IntegralFactory.``ao_kinetic`()

  Python Library Documentation: method ao_kinetic

  ao_kinetic(...) unbound psi4.IntegralFactory method

  > ao_kinetic( (IntegralFactory)arg1 [, (int)arg2]) -> OneBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::OneBodyAOInt* ao_kinetic(psi::IntegralFactory {lvalue} [,int])

`psi4.IntegralFactory.``ao_multipoles`()

  Python Library Documentation: method ao_multipoles

  ao_multipoles(...) unbound psi4.IntegralFactory method

  > ao_multipoles( (IntegralFactory)arg1, (int)arg2) -> OneBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::OneBodyAOInt* ao_multipoles(psi::IntegralFactory {lvalue},int)

`psi4.IntegralFactory.``ao_nabla`()

  Python Library Documentation: method ao_nabla

  ao_nabla(...) unbound psi4.IntegralFactory method

  > ao_nabla( (IntegralFactory)arg1 [, (int)arg2]) -> OneBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::OneBodyAOInt* ao_nabla(psi::IntegralFactory {lvalue} [,int])

`psi4.IntegralFactory.``ao_overlap`()

  Python Library Documentation: method ao_overlap

  ao_overlap(...) unbound psi4.IntegralFactory method

  > ao_overlap( (IntegralFactory)arg1 [, (int)arg2]) -> OneBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::OneBodyAOInt* ao_overlap(psi::IntegralFactory {lvalue} [,int])

`psi4.IntegralFactory.``ao_potential`()

  Python Library Documentation: method ao_potential

  ao_potential(...) unbound psi4.IntegralFactory method

  > ao_potential( (IntegralFactory)arg1 [, (int)arg2]) -> OneBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::OneBodyAOInt* ao_potential(psi::IntegralFactory {lvalue} [,int])

`psi4.IntegralFactory.``ao_pseudospectral`()

  Python Library Documentation: method ao_pseudospectral

  ao_pseudospectral(...) unbound psi4.IntegralFactory method

  > ao_pseudospectral( (IntegralFactory)arg1 [, (int)arg2]) -> OneBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::OneBodyAOInt* ao_pseudospectral(psi::IntegralFactory {lvalue} [,int])

`psi4.IntegralFactory.``ao_quadrupole`()

  Python Library Documentation: method ao_quadrupole

  ao_quadrupole(...) unbound psi4.IntegralFactory method

  > ao_quadrupole( (IntegralFactory)arg1) -> OneBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::OneBodyAOInt* ao_quadrupole(psi::IntegralFactory {lvalue})

`psi4.IntegralFactory.``ao_traceless_quadrupole`()

  Python Library Documentation: method ao_traceless_quadrupole

  ao_traceless_quadrupole(...) unbound psi4.IntegralFactory method

  > ao_traceless_quadrupole( (IntegralFactory)arg1) -> OneBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::OneBodyAOInt* ao_traceless_quadrupole(psi::IntegralFactory {lvalue})

`psi4.IntegralFactory.``electric_field`()

  Python Library Documentation: method electric_field

  electric_field(...) unbound psi4.IntegralFactory method

  > electric_field( (IntegralFactory)arg1) -> OneBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::OneBodyAOInt* electric_field(psi::IntegralFactory {lvalue})

`psi4.IntegralFactory.``electrostatic`()

  Python Library Documentation: method electrostatic

  electrostatic(...) unbound psi4.IntegralFactory method

  > electrostatic( (IntegralFactory)arg1) -> OneBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::OneBodyAOInt* electrostatic(psi::IntegralFactory {lvalue})

`psi4.IntegralFactory.``erf_complement_eri`()

  Python Library Documentation: method erf_complement_eri

  erf_complement_eri(...) unbound psi4.IntegralFactory method

  > erf_complement_eri( (IntegralFactory)arg1, (float)arg2 [, (int)arg3 [, (bool)arg4]]) -> TwoBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::TwoBodyAOInt* erf_complement_eri(psi::IntegralFactory {lvalue},double [,int [,bool]])

`psi4.IntegralFactory.``erf_eri`()

  Python Library Documentation: method erf_eri

  erf_eri(...) unbound psi4.IntegralFactory method

  > erf_eri( (IntegralFactory)arg1, (float)arg2 [, (int)arg3 [, (bool)arg4]]) -> TwoBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::TwoBodyAOInt* erf_eri(psi::IntegralFactory {lvalue},double [,int [,bool]])

`psi4.IntegralFactory.``eri`()

  Python Library Documentation: method eri

  eri(...) unbound psi4.IntegralFactory method

  > eri( (IntegralFactory)arg1 [, (int)arg2 [, (bool)arg3]]) -> TwoBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::TwoBodyAOInt* eri(psi::IntegralFactory {lvalue} [,int [,bool]])

`psi4.IntegralFactory.``f12`()

  Python Library Documentation: method f12

  f12(...) unbound psi4.IntegralFactory method

  > f12( (IntegralFactory)arg1, (CorrelationFactor)arg2 [, (int)arg3 [, (bool)arg4]]) -> TwoBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::TwoBodyAOInt* f12(psi::IntegralFactory {lvalue},boost::shared_ptr<psi::CorrelationFactor> [,int [,bool]])

`psi4.IntegralFactory.``f12_double_commutator`()

  Python Library Documentation: method f12_double_commutator

  f12_double_commutator(...) unbound psi4.IntegralFactory method

  > f12_double_commutator( (IntegralFactory)arg1, (CorrelationFactor)arg2 [, (int)arg3 [, (bool)arg4]]) -> TwoBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::TwoBodyAOInt* f12_double_commutator(psi::IntegralFactory {lvalue},boost::shared_ptr<psi::CorrelationFactor> [,int [,bool]])

`psi4.IntegralFactory.``f12_squared`()

  Python Library Documentation: method f12_squared

  f12_squared(...) unbound psi4.IntegralFactory method

  > f12_squared( (IntegralFactory)arg1, (CorrelationFactor)arg2 [, (int)arg3 [, (bool)arg4]]) -> TwoBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::TwoBodyAOInt* f12_squared(psi::IntegralFactory {lvalue},boost::shared_ptr<psi::CorrelationFactor> [,int [,bool]])

`psi4.IntegralFactory.``f12g12`()

  Python Library Documentation: method f12g12

  f12g12(...) unbound psi4.IntegralFactory method

  > f12g12( (IntegralFactory)arg1, (CorrelationFactor)arg2 [, (int)arg3 [, (bool)arg4]]) -> TwoBodyAOInt :

  > > docstring

  > > C++ signature :

  > > > psi::TwoBodyAOInt* f12g12(psi::IntegralFactory {lvalue},boost::shared_ptr<psi::CorrelationFactor> [,int [,bool]])

`psi4.IntegralFactory.``overlap_3c`()

  Python Library Documentation: method overlap_3c

  overlap_3c(...) unbound psi4.IntegralFactory method

  > overlap_3c( (IntegralFactory)arg1) -> ThreeCenterOverlapInt :

  > > docstring

  > > C++ signature :

  > > > psi::ThreeCenterOverlapInt* overlap_3c(psi::IntegralFactory {lvalue})

`psi4.IntegralFactory.``shells_iterator`()

  Python Library Documentation: method shells_iterator

  shells_iterator(...) unbound psi4.IntegralFactory method

  > shells_iterator( (IntegralFactory)arg1) -> AOShellCombinationsIterator :

  > > docstring

  > > C++ signature :

  > > > psi::AOShellCombinationsIterator* shells_iterator(psi::IntegralFactory {lvalue})

`psi4.IntegralFactory.``so_multipoles`()

  Python Library Documentation: method so_multipoles

  so_multipoles(...) unbound psi4.IntegralFactory method

  > so_multipoles( (IntegralFactory)arg1, (int)arg2) -> object :

  > > docstring

  > > C++ signature :

  > > > psi::OneBodySOInt* so_multipoles(psi::IntegralFactory {lvalue},int)

`psi4.IntegralFactory.``so_overlap`()

  Python Library Documentation: method so_overlap

  so_overlap(...) unbound psi4.IntegralFactory method

  > so_overlap( (IntegralFactory)arg1 [, (int)arg2]) -> object :

  > > docstring

  > > C++ signature :

  > > > psi::OneBodySOInt* so_overlap(psi::IntegralFactory {lvalue} [,int])

## JK

`psi4.JK.``C_left`()

  Python Library Documentation: method C_left

  C_left(...) unbound psi4.JK method

  > C_left( (JK)arg1) -> matrix_vector :

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > {lvalue} C_left(psi::JK {lvalue})

`psi4.JK.``C_right`()

  Python Library Documentation: method C_right

  C_right(...) unbound psi4.JK method

  > C_right( (JK)arg1) -> matrix_vector :

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > {lvalue} C_right(psi::JK {lvalue})

`psi4.JK.``D`()

  Python Library Documentation: method D

  D(...) unbound psi4.JK method

  > D( (JK)arg1) -> matrix_vector :

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > D(psi::JK {lvalue})

`psi4.JK.``J`()

  Python Library Documentation: method J

  J(...) unbound psi4.JK method

  > J( (JK)arg1) -> matrix_vector :

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > J(psi::JK {lvalue})

`psi4.JK.``K`()

  Python Library Documentation: method K

  K(...) unbound psi4.JK method

  > K( (JK)arg1) -> matrix_vector :

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > K(psi::JK {lvalue})

`psi4.JK.``build_JK`()

  Python Library Documentation: built-in function build_JK

  build_JK(...)

  > build_JK() -> JK :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::JK> build_JK()

`psi4.JK.``compute`()

  Python Library Documentation: method compute

  compute(...) unbound psi4.JK method

  > compute( (JK)arg1) -> None :

  > > C++ signature :

  > > > void compute(psi::JK {lvalue})

`psi4.JK.``finalize`()

  Python Library Documentation: method finalize

  finalize(...) unbound psi4.JK method

  > finalize( (JK)arg1) -> None :

  > > C++ signature :

  > > > void finalize(psi::JK {lvalue})

`psi4.JK.``initialize`()

  Python Library Documentation: method initialize

  initialize(...) unbound psi4.JK method

  > initialize( (JK)arg1) -> None :

  > > C++ signature :

  > > > void initialize(psi::JK {lvalue})

`psi4.JK.``print_header`()

  Python Library Documentation: method print_header

  print_header(...) unbound psi4.JK method

  > print_header( (JK)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_header(psi::JK {lvalue})

`psi4.JK.``wK`()

  Python Library Documentation: method wK

  wK(...) unbound psi4.JK method

  > wK( (JK)arg1) -> matrix_vector :

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > wK(psi::JK {lvalue})

## KineticInt

`psi4.KineticInt.``basis`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.KineticInt.``basis1`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.KineticInt.``basis2`()

  Python Library Documentation: property

  > The basis set on center two

`psi4.KineticInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.KineticInt method

  > compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_shell(psi::OneBodyAOInt {lvalue},int,int)

`psi4.KineticInt.``origin`()

  Python Library Documentation: property

  > The origin about which the one body ints are being computed.

`psi4.KineticInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.KineticInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.KineticInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.KineticInt method

  > set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)

## LaplaceDenominator

`psi4.LaplaceDenominator.``denominator_occ`()

  Python Library Documentation: method denominator_occ

  denominator_occ(...) unbound psi4.LaplaceDenominator method

  > denominator_occ( (LaplaceDenominator)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> denominator_occ(psi::LaplaceDenominator {lvalue})

`psi4.LaplaceDenominator.``denominator_vir`()

  Python Library Documentation: method denominator_vir

  denominator_vir(...) unbound psi4.LaplaceDenominator method

  > denominator_vir( (LaplaceDenominator)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> denominator_vir(psi::LaplaceDenominator {lvalue})

## LibFragDriver

## LibParallelHelper

`psi4.LibParallelHelper.``AddTask`()

  Python Library Documentation: method AddTask

  AddTask(...) unbound psi4.LibParallelHelper method

  > AddTask( (LibParallelHelper)arg1, (str)arg2, (int)arg3) -> None :

  > > C++ signature :

  > > > void AddTask(psi::LibParallel::LibParallelHelper {lvalue},boost::python::str {lvalue},int)

`psi4.LibParallelHelper.``Begin`()

  Python Library Documentation: method Begin

  Begin(...) unbound psi4.LibParallelHelper method

  > Begin( (LibParallelHelper)arg1) -> str :

  > > C++ signature :

  > > > boost::python::str Begin(psi::LibParallel::LibParallelHelper {lvalue})

`psi4.LibParallelHelper.``Done`()

  Python Library Documentation: method Done

  Done(...) unbound psi4.LibParallelHelper method

  > Done( (LibParallelHelper)arg1) -> bool :

  > > C++ signature :

  > > > bool Done(psi::LibParallel::LibParallelHelper {lvalue})

`psi4.LibParallelHelper.``MakeJob`()

  Python Library Documentation: method MakeJob

  MakeJob(...) unbound psi4.LibParallelHelper method

  > MakeJob( (LibParallelHelper)arg1) -> None :

  > > C++ signature :

  > > > void MakeJob(psi::LibParallel::LibParallelHelper {lvalue})

`psi4.LibParallelHelper.``Next`()

  Python Library Documentation: method Next

  Next(...) unbound psi4.LibParallelHelper method

  > Next( (LibParallelHelper)arg1) -> str :

  > > C++ signature :

  > > > boost::python::str Next(psi::LibParallel::LibParallelHelper {lvalue})

`psi4.LibParallelHelper.``Synch`()

  Python Library Documentation: method Synch

  Synch(...) unbound psi4.LibParallelHelper method

  > Synch( (LibParallelHelper)arg1, (list)arg2, (int)arg3) -> list :

  > > C++ signature :

  > > > boost::python::list Synch(psi::LibParallel::LibParallelHelper {lvalue},boost::python::list {lvalue},int)

## Localizer

`psi4.Localizer.``L`()

  Python Library Documentation: property

  > Localized orbital coefficients

`psi4.Localizer.``U`()

  Python Library Documentation: property

  > Orbital rotation matrix

`psi4.Localizer.``build`()

  Python Library Documentation: built-in function build

  build(...)

  > build( (str)arg1, (BasisSet)arg2, (Matrix)arg3) -> Localizer :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Localizer> build(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::Matrix>)

`psi4.Localizer.``converged`()

  Python Library Documentation: property

  > Did the localization procedure converge?

`psi4.Localizer.``localize`()

  Python Library Documentation: method localize

  localize(...) unbound psi4.Localizer method

  > localize( (Localizer)arg1) -> None :

  > > Perform the localization procedure

  > > C++ signature :

  > > > void localize(psi::Localizer {lvalue})

## Matrix

`psi4.Matrix.``accumulate_product`()

  Python Library Documentation: method accumulate_product

  accumulate_product(...) unbound psi4.Matrix method

  > accumulate_product( (Matrix)arg1, (Matrix)arg2, (Matrix)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void accumulate_product(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)

`psi4.Matrix.``add`()

  Python Library Documentation: method add

  add(...) unbound psi4.Matrix method

  > add( (Matrix)arg1, (Matrix)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void add(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix>)

`psi4.Matrix.``add_and_orthogonalize_row`()

  Python Library Documentation: method add_and_orthogonalize_row

  add_and_orthogonalize_row(...) unbound psi4.Matrix method

  > add_and_orthogonalize_row( (Matrix)arg1, (Vector)arg2) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool add_and_orthogonalize_row(psi::Matrix {lvalue},boost::shared_ptr<psi::Vector>)

`psi4.Matrix.``array_interfaces`()

  Python Library Documentation: method array_interfaces

  array_interfaces(...) unbound psi4.Matrix method

  > array_interfaces( (Matrix)arg1) -> list :

  > > docstring

  > > C++ signature :

  > > > boost::python::list array_interfaces(boost::shared_ptr<psi::Matrix>)

`psi4.Matrix.``back_transform`()

  Python Library Documentation: method back_transform

  back_transform(...) unbound psi4.Matrix method

  > back_transform( (Matrix)arg1, (Matrix)arg2, (Matrix)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void back_transform(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)

`psi4.Matrix.``canonical_orthogonalization`()

  Python Library Documentation: method canonical_orthogonalization

  canonical_orthogonalization(...) unbound psi4.Matrix method

  > canonical_orthogonalization( (Matrix)arg1, (float)arg2 [, (Matrix)arg3]) -> Matrix :

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> canonical_orthogonalization(psi::Matrix {lvalue},double [,boost::shared_ptr<psi::Matrix>])

`psi4.Matrix.``cholesky_factorize`()

  Python Library Documentation: method cholesky_factorize

  cholesky_factorize(...) unbound psi4.Matrix method

  > cholesky_factorize( (Matrix)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void cholesky_factorize(psi::Matrix {lvalue})

`psi4.Matrix.``clone`()

  Python Library Documentation: method clone

  clone(...) unbound psi4.Matrix method

  > clone( (Matrix)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> clone(psi::Matrix {lvalue})

`psi4.Matrix.``coldim`()

  Python Library Documentation: method coldim

  coldim(...) unbound psi4.Matrix method

  > coldim( (Matrix)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension coldim(psi::Matrix {lvalue})

`psi4.Matrix.``cols`()

  Python Library Documentation: method cols

  cols(...) unbound psi4.Matrix method

  > cols( (Matrix)arg1, (int)arg2) -> int :

  > > docstring

  > > C++ signature :

  > > > int cols(psi::Matrix {lvalue},int)

`psi4.Matrix.``copy_lower_to_upper`()

  Python Library Documentation: method copy_lower_to_upper

  copy_lower_to_upper(...) unbound psi4.Matrix method

  > copy_lower_to_upper( (Matrix)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void copy_lower_to_upper(psi::Matrix {lvalue})

`psi4.Matrix.``copy_upper_to_lower`()

  Python Library Documentation: method copy_upper_to_lower

  copy_upper_to_lower(...) unbound psi4.Matrix method

  > copy_upper_to_lower( (Matrix)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void copy_upper_to_lower(psi::Matrix {lvalue})

`psi4.Matrix.``diagonalize`()

  Python Library Documentation: method diagonalize

  diagonalize(...) unbound psi4.Matrix method

  > diagonalize( (Matrix)arg1, (Matrix)arg2, (Vector)arg3, (DiagonalizeOrder)arg4) -> None :

  > > docstring

  > > C++ signature :

  > > > void diagonalize(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix> {lvalue},boost::shared_ptr<psi::Vector> {lvalue},psi::diagonalize_order)

`psi4.Matrix.``gemm`()

  Python Library Documentation: method gemm

  gemm(...) unbound psi4.Matrix method

  > gemm( (Matrix)arg1, (bool)arg2, (bool)arg3, (float)arg4, (Matrix)arg5, (Matrix)arg6, (float)arg7) -> None :

  > > docstring

  > > C++ signature :

  > > > void gemm(psi::Matrix {lvalue},bool,bool,double,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,double)

`psi4.Matrix.``get`()

  Python Library Documentation: method get

  get(...) unbound psi4.Matrix method

  > get( (Matrix)arg1, (int)arg2, (int)arg3 [, (int)arg4]) -> float :

  > > docstring

  > > C++ signature :

  > > > double get(psi::Matrix {lvalue},int,int [,int])

`psi4.Matrix.``identity`()

  Python Library Documentation: method identity

  identity(...) unbound psi4.Matrix method

  > identity( (Matrix)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void identity(psi::Matrix {lvalue})

`psi4.Matrix.``invert`()

  Python Library Documentation: method invert

  invert(...) unbound psi4.Matrix method

  > invert( (Matrix)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void invert(psi::Matrix {lvalue})

`psi4.Matrix.``load`()

  Python Library Documentation: method load

  load(...) unbound psi4.Matrix method

  > load( (Matrix)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void load(psi::Matrix {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Matrix.``load_mpqc`()

  Python Library Documentation: method load_mpqc

  load_mpqc(...) unbound psi4.Matrix method

  > load_mpqc( (Matrix)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void load_mpqc(psi::Matrix {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Matrix.``name`()

  Python Library Documentation: method name

  name(...) unbound psi4.Matrix method

  > name( (Matrix)arg1) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > name(psi::Matrix {lvalue})

`psi4.Matrix.``nirrep`()

  Python Library Documentation: method nirrep

  nirrep(...) unbound psi4.Matrix method

  > nirrep( (Matrix)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nirrep(psi::Matrix {lvalue})

`psi4.Matrix.``partial_cholesky_factorize`()

  Python Library Documentation: method partial_cholesky_factorize

  partial_cholesky_factorize(...) unbound psi4.Matrix method

  > partial_cholesky_factorize( (Matrix)arg1, (float)arg2, (bool)arg3) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> partial_cholesky_factorize(psi::Matrix {lvalue},double,bool)

`psi4.Matrix.``power`()

  Python Library Documentation: method power

  power(...) unbound psi4.Matrix method

  > power( (Matrix)arg1, (float)arg2, (float)arg3) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension power(psi::Matrix {lvalue},double,double)

`psi4.Matrix.``print_out`()

  Python Library Documentation: method print_out

  print_out(...) unbound psi4.Matrix method

  > print_out( (Matrix)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_out(psi::Matrix {lvalue})

`psi4.Matrix.``project_out`()

  Python Library Documentation: method project_out

  project_out(...) unbound psi4.Matrix method

  > project_out( (Matrix)arg1, (Matrix)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void project_out(psi::Matrix {lvalue},psi::Matrix {lvalue})

`psi4.Matrix.``remove_symmetry`()

  Python Library Documentation: method remove_symmetry

  remove_symmetry(...) unbound psi4.Matrix method

  > remove_symmetry( (Matrix)arg1, (Matrix)arg2, (Matrix)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void remove_symmetry(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)

`psi4.Matrix.``rms`()

  Python Library Documentation: method rms

  rms(...) unbound psi4.Matrix method

  > rms( (Matrix)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double rms(psi::Matrix {lvalue})

`psi4.Matrix.``rowdim`()

  Python Library Documentation: method rowdim

  rowdim(...) unbound psi4.Matrix method

  > rowdim( (Matrix)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension rowdim(psi::Matrix {lvalue})

`psi4.Matrix.``rows`()

  Python Library Documentation: method rows

  rows(...) unbound psi4.Matrix method

  > rows( (Matrix)arg1, (int)arg2) -> int :

  > > docstring

  > > C++ signature :

  > > > int rows(psi::Matrix {lvalue},int)

`psi4.Matrix.``save`()

  Python Library Documentation: method save

  save(...) unbound psi4.Matrix method

  > save( (Matrix)arg1, (str)arg2, (bool)arg3, (bool)arg4, (bool)arg5) -> None :

  > > docstring

  > > C++ signature :

  > > > void save(psi::Matrix {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,bool,bool,bool)

`psi4.Matrix.``scale`()

  Python Library Documentation: method scale

  scale(...) unbound psi4.Matrix method

  > scale( (Matrix)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void scale(psi::Matrix {lvalue},double)

`psi4.Matrix.``scale_column`()

  Python Library Documentation: method scale_column

  scale_column(...) unbound psi4.Matrix method

  > scale_column( (Matrix)arg1, (int)arg2, (int)arg3, (float)arg4) -> None :

  > > docstring

  > > C++ signature :

  > > > void scale_column(psi::Matrix {lvalue},int,int,double)

`psi4.Matrix.``scale_row`()

  Python Library Documentation: method scale_row

  scale_row(...) unbound psi4.Matrix method

  > scale_row( (Matrix)arg1, (int)arg2, (int)arg3, (float)arg4) -> None :

  > > docstring

  > > C++ signature :

  > > > void scale_row(psi::Matrix {lvalue},int,int,double)

`psi4.Matrix.``schmidt`()

  Python Library Documentation: method schmidt

  schmidt(...) unbound psi4.Matrix method

  > schmidt( (Matrix)arg1) -> None :

  > > C++ signature :

  > > > void schmidt(psi::Matrix {lvalue})

`psi4.Matrix.``set`()

  Python Library Documentation: method set

  set(...) unbound psi4.Matrix method

  > set( (Matrix)arg1, (int)arg2, (int)arg3, (float)arg4) -> None :

  > > docstring

  > > C++ signature :

  > > > void set(psi::Matrix {lvalue},int,int,double)

  > set( (Matrix)arg1, (int)arg2, (int)arg3, (int)arg4, (float)arg5) -> None :

  > > docstring

  > > C++ signature :

  > > > void set(psi::Matrix {lvalue},int,int,int,double)

  > set( (Matrix)arg1, (list)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set(psi::Matrix {lvalue},boost::python::list)

`psi4.Matrix.``set_name`()

  Python Library Documentation: method set_name

  set_name(...) unbound psi4.Matrix method

  > set_name( (Matrix)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_name(psi::Matrix {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Matrix.``subtract`()

  Python Library Documentation: method subtract

  subtract(...) unbound psi4.Matrix method

  > subtract( (Matrix)arg1, (Matrix)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void subtract(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix>)

`psi4.Matrix.``sum_of_squares`()

  Python Library Documentation: method sum_of_squares

  sum_of_squares(...) unbound psi4.Matrix method

  > sum_of_squares( (Matrix)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double sum_of_squares(psi::Matrix {lvalue})

`psi4.Matrix.``symmetry`()

  Python Library Documentation: method symmetry

  symmetry(...) unbound psi4.Matrix method

  > symmetry( (Matrix)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int symmetry(psi::Matrix {lvalue})

`psi4.Matrix.``trace`()

  Python Library Documentation: method trace

  trace(...) unbound psi4.Matrix method

  > trace( (Matrix)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double trace(psi::Matrix {lvalue})

`psi4.Matrix.``transform`()

  Python Library Documentation: method transform

  transform(...) unbound psi4.Matrix method

  > transform( (Matrix)arg1, (Matrix)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void transform(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix>)

  > transform( (Matrix)arg1, (Matrix)arg2 [, (Matrix)arg3]) -> None :

  > > docstring

  > > C++ signature :

  > > > void transform(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix> [,boost::shared_ptr<psi::Matrix>])

`psi4.Matrix.``vector_dot`()

  Python Library Documentation: method vector_dot

  vector_dot(...) unbound psi4.Matrix method

  > vector_dot( (Matrix)arg1, (Matrix)arg2) -> float :

  > > docstring

  > > C++ signature :

  > > > double vector_dot(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix>)

`psi4.Matrix.``zero`()

  Python Library Documentation: method zero

  zero(...) unbound psi4.Matrix method

  > zero( (Matrix)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void zero(psi::Matrix {lvalue})

`psi4.Matrix.``zero_diagonal`()

  Python Library Documentation: method zero_diagonal

  zero_diagonal(...) unbound psi4.Matrix method

  > zero_diagonal( (Matrix)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void zero_diagonal(psi::Matrix {lvalue})

`psi4.Matrix.``zero_lower`()

  Python Library Documentation: method zero_lower

  zero_lower(...) unbound psi4.Matrix method

  > zero_lower( (Matrix)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void zero_lower(psi::Matrix {lvalue})

`psi4.Matrix.``zero_upper`()

  Python Library Documentation: method zero_upper

  zero_upper(...) unbound psi4.Matrix method

  > zero_upper( (Matrix)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void zero_upper(psi::Matrix {lvalue})

## MatrixFactory

`psi4.MatrixFactory.``create_matrix`()

  Python Library Documentation: method create_matrix

  create_matrix(...) unbound psi4.MatrixFactory method

  > create_matrix( (MatrixFactory)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> create_matrix(psi::MatrixFactory {lvalue})

  > create_matrix( (MatrixFactory)arg1, (str)arg2) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> create_matrix(psi::MatrixFactory {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.MatrixFactory.``shared_object`()

  Python Library Documentation: built-in function shared_object

  shared_object(...)

  > shared_object() -> MatrixFactory :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::MatrixFactory> shared_object()

## MintsHelper

`psi4.MintsHelper.``ao_angular_momentum`()

  Python Library Documentation: method ao_angular_momentum

  ao_angular_momentum(...) unbound psi4.MintsHelper method

  > ao_angular_momentum( (MintsHelper)arg1) -> matrix_vector :

  > > docstring

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > ao_angular_momentum(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``ao_erf_eri`()

  Python Library Documentation: method ao_erf_eri

  ao_erf_eri(...) unbound psi4.MintsHelper method

  > ao_erf_eri( (MintsHelper)arg1, (float)arg2) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_erf_eri(psi::MintsHelper {lvalue},double)

`psi4.MintsHelper.``ao_eri`()

  Python Library Documentation: method ao_eri

  ao_eri(...) unbound psi4.MintsHelper method

  > ao_eri( (MintsHelper)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_eri(psi::MintsHelper {lvalue})

  > ao_eri( (MintsHelper)arg1, (BasisSet)arg2, (BasisSet)arg3, (BasisSet)arg4, (BasisSet)arg5) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_eri(psi::MintsHelper {lvalue},boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>)

`psi4.MintsHelper.``ao_eri_shell`()

  Python Library Documentation: method ao_eri_shell

  ao_eri_shell(...) unbound psi4.MintsHelper method

  > ao_eri_shell( (MintsHelper)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_eri_shell(psi::MintsHelper {lvalue},int,int,int,int)

`psi4.MintsHelper.``ao_f12`()

  Python Library Documentation: method ao_f12

  ao_f12(...) unbound psi4.MintsHelper method

  > ao_f12( (MintsHelper)arg1, (CorrelationFactor)arg2) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_f12(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>)

  > ao_f12( (MintsHelper)arg1, (CorrelationFactor)arg2, (BasisSet)arg3, (BasisSet)arg4, (BasisSet)arg5, (BasisSet)arg6) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_f12(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>)

`psi4.MintsHelper.``ao_f12_double_commutator`()

  Python Library Documentation: method ao_f12_double_commutator

  ao_f12_double_commutator(...) unbound psi4.MintsHelper method

  > ao_f12_double_commutator( (MintsHelper)arg1, (CorrelationFactor)arg2) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_f12_double_commutator(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>)

`psi4.MintsHelper.``ao_f12_scaled`()

  Python Library Documentation: method ao_f12_scaled

  ao_f12_scaled(...) unbound psi4.MintsHelper method

  > ao_f12_scaled( (MintsHelper)arg1, (CorrelationFactor)arg2) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_f12_scaled(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>)

  > ao_f12_scaled( (MintsHelper)arg1, (CorrelationFactor)arg2, (BasisSet)arg3, (BasisSet)arg4, (BasisSet)arg5, (BasisSet)arg6) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_f12_scaled(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>)

`psi4.MintsHelper.``ao_f12_squared`()

  Python Library Documentation: method ao_f12_squared

  ao_f12_squared(...) unbound psi4.MintsHelper method

  > ao_f12_squared( (MintsHelper)arg1, (CorrelationFactor)arg2) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_f12_squared(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>)

`psi4.MintsHelper.``ao_f12g12`()

  Python Library Documentation: method ao_f12g12

  ao_f12g12(...) unbound psi4.MintsHelper method

  > ao_f12g12( (MintsHelper)arg1, (CorrelationFactor)arg2) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_f12g12(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>)

`psi4.MintsHelper.``ao_kinetic`()

  Python Library Documentation: method ao_kinetic

  ao_kinetic(...) unbound psi4.MintsHelper method

  > ao_kinetic( (MintsHelper)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_kinetic(psi::MintsHelper {lvalue})

  > ao_kinetic( (MintsHelper)arg1, (BasisSet)arg2, (BasisSet)arg3) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_kinetic(psi::MintsHelper {lvalue},boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>)

`psi4.MintsHelper.``ao_nabla`()

  Python Library Documentation: method ao_nabla

  ao_nabla(...) unbound psi4.MintsHelper method

  > ao_nabla( (MintsHelper)arg1) -> matrix_vector :

  > > docstring

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > ao_nabla(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``ao_overlap`()

  Python Library Documentation: method ao_overlap

  ao_overlap(...) unbound psi4.MintsHelper method

  > ao_overlap( (MintsHelper)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_overlap(psi::MintsHelper {lvalue})

  > ao_overlap( (MintsHelper)arg1, (BasisSet)arg2, (BasisSet)arg3) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_overlap(psi::MintsHelper {lvalue},boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>)

`psi4.MintsHelper.``ao_potential`()

  Python Library Documentation: method ao_potential

  ao_potential(...) unbound psi4.MintsHelper method

  > ao_potential( (MintsHelper)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_potential(psi::MintsHelper {lvalue})

  > ao_potential( (MintsHelper)arg1, (BasisSet)arg2, (BasisSet)arg3) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> ao_potential(psi::MintsHelper {lvalue},boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>)

`psi4.MintsHelper.``basisset`()

  Python Library Documentation: method basisset

  basisset(...) unbound psi4.MintsHelper method

  > basisset( (MintsHelper)arg1) -> BasisSet :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::BasisSet> basisset(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``cdsalcs`()

  Python Library Documentation: method cdsalcs

  cdsalcs(...) unbound psi4.MintsHelper method

  > cdsalcs( (MintsHelper)arg1, (int)arg2, (bool)arg3, (bool)arg4) -> CdSalcList :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::CdSalcList> cdsalcs(psi::MintsHelper {lvalue},int,bool,bool)

`psi4.MintsHelper.``factory`()

  Python Library Documentation: method factory

  factory(...) unbound psi4.MintsHelper method

  > factory( (MintsHelper)arg1) -> MatrixFactory :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::MatrixFactory> factory(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``integral`()

  Python Library Documentation: method integral

  integral(...) unbound psi4.MintsHelper method

  > integral( (MintsHelper)arg1) -> IntegralFactory :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::IntegralFactory> integral(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``integrals`()

  Python Library Documentation: method integrals

  integrals(...) unbound psi4.MintsHelper method

  > integrals( (MintsHelper)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void integrals(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``integrals_erf`()

  Python Library Documentation: method integrals_erf

  integrals_erf(...) unbound psi4.MintsHelper method

  > integrals_erf( (MintsHelper)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void integrals_erf(psi::MintsHelper {lvalue},double)

`psi4.MintsHelper.``integrals_erfc`()

  Python Library Documentation: method integrals_erfc

  integrals_erfc(...) unbound psi4.MintsHelper method

  > integrals_erfc( (MintsHelper)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void integrals_erfc(psi::MintsHelper {lvalue},double)

`psi4.MintsHelper.``mo_erf_eri`()

  Python Library Documentation: method mo_erf_eri

  mo_erf_eri(...) unbound psi4.MintsHelper method

  > mo_erf_eri( (MintsHelper)arg1, (float)arg2, (Matrix)arg3, (Matrix)arg4, (Matrix)arg5, (Matrix)arg6) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> mo_erf_eri(psi::MintsHelper {lvalue},double,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)

`psi4.MintsHelper.``mo_eri`()

  Python Library Documentation: method mo_eri

  mo_eri(...) unbound psi4.MintsHelper method

  > mo_eri( (MintsHelper)arg1, (Matrix)arg2, (Matrix)arg3, (Matrix)arg4, (Matrix)arg5) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> mo_eri(psi::MintsHelper {lvalue},boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)

`psi4.MintsHelper.``mo_f12`()

  Python Library Documentation: method mo_f12

  mo_f12(...) unbound psi4.MintsHelper method

  > mo_f12( (MintsHelper)arg1, (CorrelationFactor)arg2, (Matrix)arg3, (Matrix)arg4, (Matrix)arg5, (Matrix)arg6) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> mo_f12(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)

`psi4.MintsHelper.``mo_f12_double_commutator`()

  Python Library Documentation: method mo_f12_double_commutator

  mo_f12_double_commutator(...) unbound psi4.MintsHelper method

  > mo_f12_double_commutator( (MintsHelper)arg1, (CorrelationFactor)arg2, (Matrix)arg3, (Matrix)arg4, (Matrix)arg5, (Matrix)arg6) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> mo_f12_double_commutator(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)

`psi4.MintsHelper.``mo_f12_squared`()

  Python Library Documentation: method mo_f12_squared

  mo_f12_squared(...) unbound psi4.MintsHelper method

  > mo_f12_squared( (MintsHelper)arg1, (CorrelationFactor)arg2, (Matrix)arg3, (Matrix)arg4, (Matrix)arg5, (Matrix)arg6) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> mo_f12_squared(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)

`psi4.MintsHelper.``mo_f12g12`()

  Python Library Documentation: method mo_f12g12

  mo_f12g12(...) unbound psi4.MintsHelper method

  > mo_f12g12( (MintsHelper)arg1, (CorrelationFactor)arg2, (Matrix)arg3, (Matrix)arg4, (Matrix)arg5, (Matrix)arg6) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> mo_f12g12(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)

`psi4.MintsHelper.``mo_spin_eri`()

  Python Library Documentation: method mo_spin_eri

  mo_spin_eri(...) unbound psi4.MintsHelper method

  > mo_spin_eri( (MintsHelper)arg1, (Matrix)arg2, (Matrix)arg3) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> mo_spin_eri(psi::MintsHelper {lvalue},boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)

`psi4.MintsHelper.``mo_transform`()

  Python Library Documentation: method mo_transform

  mo_transform(...) unbound psi4.MintsHelper method

  > mo_transform( (MintsHelper)arg1, (Matrix)arg2, (Matrix)arg3, (Matrix)arg4, (Matrix)arg5, (Matrix)arg6) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> mo_transform(psi::MintsHelper {lvalue},boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)

`psi4.MintsHelper.``one_electron_integrals`()

  Python Library Documentation: method one_electron_integrals

  one_electron_integrals(...) unbound psi4.MintsHelper method

  > one_electron_integrals( (MintsHelper)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void one_electron_integrals(psi::MintsHelper {lvalue})

  > one_electron_integrals( (MintsHelper)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void one_electron_integrals(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``petite_list`()

  Python Library Documentation: method petite_list

  petite_list(...) unbound psi4.MintsHelper method

  > petite_list( (MintsHelper)arg1) -> PetiteList :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::PetiteList> petite_list(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``petite_list1`()

  Python Library Documentation: method petite_list1

  petite_list1(...) unbound psi4.MintsHelper method

  > petite_list1( (MintsHelper)arg1, (bool)arg2) -> PetiteList :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::PetiteList> petite_list1(psi::MintsHelper {lvalue},bool)

`psi4.MintsHelper.``play`()

  Python Library Documentation: method play

  play(...) unbound psi4.MintsHelper method

  > play( (MintsHelper)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void play(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``so_angular_momentum`()

  Python Library Documentation: method so_angular_momentum

  so_angular_momentum(...) unbound psi4.MintsHelper method

  > so_angular_momentum( (MintsHelper)arg1) -> matrix_vector :

  > > docstring

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > so_angular_momentum(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``so_dipole`()

  Python Library Documentation: method so_dipole

  so_dipole(...) unbound psi4.MintsHelper method

  > so_dipole( (MintsHelper)arg1) -> matrix_vector :

  > > docstring

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > so_dipole(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``so_kinetic`()

  Python Library Documentation: method so_kinetic

  so_kinetic(...) unbound psi4.MintsHelper method

  > so_kinetic( (MintsHelper)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> so_kinetic(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``so_nabla`()

  Python Library Documentation: method so_nabla

  so_nabla(...) unbound psi4.MintsHelper method

  > so_nabla( (MintsHelper)arg1) -> matrix_vector :

  > > docstring

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > so_nabla(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``so_overlap`()

  Python Library Documentation: method so_overlap

  so_overlap(...) unbound psi4.MintsHelper method

  > so_overlap( (MintsHelper)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> so_overlap(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``so_potential`()

  Python Library Documentation: method so_potential

  so_potential(...) unbound psi4.MintsHelper method

  > so_potential( (MintsHelper)arg1, (bool)arg2) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> so_potential(psi::MintsHelper {lvalue},bool)

`psi4.MintsHelper.``so_quadrupole`()

  Python Library Documentation: method so_quadrupole

  so_quadrupole(...) unbound psi4.MintsHelper method

  > so_quadrupole( (MintsHelper)arg1) -> matrix_vector :

  > > docstring

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > so_quadrupole(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``so_traceless_quadrupole`()

  Python Library Documentation: method so_traceless_quadrupole

  so_traceless_quadrupole(...) unbound psi4.MintsHelper method

  > so_traceless_quadrupole( (MintsHelper)arg1) -> matrix_vector :

  > > docstring

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > so_traceless_quadrupole(psi::MintsHelper {lvalue})

`psi4.MintsHelper.``sobasisset`()

  Python Library Documentation: method sobasisset

  sobasisset(...) unbound psi4.MintsHelper method

  > sobasisset( (MintsHelper)arg1) -> SOBasisSet :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::SOBasisSet> sobasisset(psi::MintsHelper {lvalue})

## MoldenWriter

`psi4.MoldenWriter.``write`()

  Python Library Documentation: method write

  write(...) unbound psi4.MoldenWriter method

  > write( (MoldenWriter)arg1, (str)arg2, (Matrix)arg3, (Matrix)arg4, (Vector)arg5, (Vector)arg6, (Vector)arg7, (Vector)arg8) -> None :

  > > docstring

  > > C++ signature :

  > > > void write(psi::MoldenWriter {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>)

## Molecule

`psi4.Molecule.``BFS`()

  Python Library Documentation: method BFS in module molutil

  BFS(self) unbound psi4.Molecule method

  > Perform a breadth-first search (BFS) on the real atoms

  > in molecule, returning an array of atom indices of fragments.

  > Relies upon van der Waals radii and so faulty for close

  > (esp. hydrogen-bonded) fragments. Original code from

  > Michael S. Marshall.

`psi4.Molecule.``Z`()

  Python Library Documentation: method Z

  Z(...) unbound psi4.Molecule method

  > Z( (Molecule)arg1, (int)arg2) -> float :

  > > Nuclear charge of atom

  > > C++ signature :

  > > > double Z(psi::Molecule {lvalue},int)

`psi4.Molecule.``activate_all_fragments`()

  Python Library Documentation: method activate_all_fragments

  activate_all_fragments(...) unbound psi4.Molecule method

  > activate_all_fragments( (Molecule)arg1) -> None :

  > > Sets all fragments in the molecule to be active

  > > C++ signature :

  > > > void activate_all_fragments(psi::Molecule {lvalue})

`psi4.Molecule.``add_atom`()

  Python Library Documentation: method add_atom

  add_atom(...) unbound psi4.Molecule method

  > add_atom( (Molecule)arg1, (int)arg2, (float)arg3, (float)arg4, (float)arg5, (str)arg6, (float)arg7, (float)arg8, (int)arg9) -> None :

  > > Adds to Molecule arg1 an atom with atomic number arg2, Cartesian coordinates in Bohr (arg3, arg4, arg5), atomic symbol arg6, mass arg7, charge arg8 (optional), and lineno arg9 (optional)

  > > C++ signature :

  > > > void add_atom(psi::Molecule {lvalue},int,double,double,double,char const*,double,double,int)

`psi4.Molecule.``atom_at_position`()

  Python Library Documentation: method atom_at_position

  atom_at_position(...) unbound psi4.Molecule method

  > atom_at_position( (Molecule)arg1, (float)arg2, (float)arg3) -> int :

  > > Tests to see if an atom is at the position arg2 with a given tolerance arg3

  > > C++ signature :

  > > > int atom_at_position(psi::Molecule {lvalue},double*,double)

`psi4.Molecule.``center_of_mass`()

  Python Library Documentation: method center_of_mass

  center_of_mass(...) unbound psi4.Molecule method

  > center_of_mass( (Molecule)arg1) -> Vector3 :

  > > Computes center of mass of molecule (does not translate molecule)

  > > C++ signature :

  > > > psi::Vector3 center_of_mass(psi::Molecule {lvalue})

`psi4.Molecule.``charge`()

  Python Library Documentation: method charge

  charge(...) unbound psi4.Molecule method

  > charge( (Molecule)arg1, (int)arg2) -> float :

  > > Gets charge of atom

  > > C++ signature :

  > > > double charge(psi::Molecule {lvalue},int)

`psi4.Molecule.``clone`()

  Python Library Documentation: method clone

  clone(...) unbound psi4.Molecule method

  > clone( (Molecule)arg1) -> Molecule :

  > > Returns a new Molecule identical to arg1

  > > C++ signature :

  > > > psi::Molecule clone(psi::Molecule {lvalue})

`psi4.Molecule.``create_molecule_from_string`()

  Python Library Documentation: built-in function create_molecule_from_string

  create_molecule_from_string(...)

  > create_molecule_from_string( (str)arg1) -> Molecule :

  > > Returns a new Molecule with member data from the geometry string arg1 in psi4 format

  > > C++ signature :

  > > > boost::shared_ptr<psi::Molecule> create_molecule_from_string(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Molecule.``create_psi4_string_from_molecule`()

  Python Library Documentation: method create_psi4_string_from_molecule

  create_psi4_string_from_molecule(...) unbound psi4.Molecule method

  > create_psi4_string_from_molecule( (Molecule)arg1) -> str :

  > > Gets a string reexpressing in input format the current states of the molecule

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > create_psi4_string_from_molecule(psi::Molecule {lvalue})

`psi4.Molecule.``deactivate_all_fragments`()

  Python Library Documentation: method deactivate_all_fragments

  deactivate_all_fragments(...) unbound psi4.Molecule method

  > deactivate_all_fragments( (Molecule)arg1) -> None :

  > > Sets all fragments in the molecule to be inactive

  > > C++ signature :

  > > > void deactivate_all_fragments(psi::Molecule {lvalue})

`psi4.Molecule.``extract_subsets`()

  Python Library Documentation: method extract_subsets

  extract_subsets(...) unbound psi4.Molecule method

  > extract_subsets( (Molecule)arg1, (list)arg2, (list)arg3) -> Molecule :

  > > Returns copy of arg1 with arg2 fragments Real and arg3 fragments Ghost

  > > C++ signature :

  > > > boost::shared_ptr<psi::Molecule> extract_subsets(psi::Molecule {lvalue},boost::python::list,boost::python::list)

  > extract_subsets( (Molecule)arg1, (list)arg2, (int)arg3) -> Molecule :

  > > Returns copy of arg1 with arg2 fragments Real and arg3 fragment Ghost

  > > C++ signature :

  > > > boost::shared_ptr<psi::Molecule> extract_subsets(psi::Molecule {lvalue},boost::python::list,int)

  > extract_subsets( (Molecule)arg1, (int)arg2, (list)arg3) -> Molecule :

  > > Returns copy of arg1 with arg2 fragment Real and arg3 fragments Ghost

  > > C++ signature :

  > > > boost::shared_ptr<psi::Molecule> extract_subsets(psi::Molecule {lvalue},int,boost::python::list)

  > extract_subsets( (Molecule)arg1, (int)arg2, (int)arg3) -> Molecule :

  > > Returns copy of arg1 with arg2 fragment Real and arg3 fragment Ghost

  > > C++ signature :

  > > > boost::shared_ptr<psi::Molecule> extract_subsets(psi::Molecule {lvalue},int,int)

  > extract_subsets( (Molecule)arg1, (list)arg2) -> Molecule :

  > > Returns copy of arg1 with arg2 fragments Real

  > > C++ signature :

  > > > boost::shared_ptr<psi::Molecule> extract_subsets(psi::Molecule {lvalue},boost::python::list)

  > extract_subsets( (Molecule)arg1, (int)arg2) -> Molecule :

  > > Returns copy of arg1 with arg2 fragment Real

  > > C++ signature :

  > > > boost::shared_ptr<psi::Molecule> extract_subsets(psi::Molecule {lvalue},int)

`psi4.Molecule.``find_point_group`()

  Python Library Documentation: method find_point_group

  find_point_group(...) unbound psi4.Molecule method

  > find_point_group( (Molecule)arg1, (float)arg2) -> PointGroup :

  > > Finds computational molecular point group, user can override this with the symmetry keyword

  > > C++ signature :

  > > > boost::shared_ptr<psi::PointGroup> find_point_group(psi::Molecule {lvalue},double)

`psi4.Molecule.``fix_com`()

  Python Library Documentation: method fix_com

  fix_com(...) unbound psi4.Molecule method

  > fix_com( (Molecule)arg1, (bool)arg2) -> None :

  > > Whether to fix the Cartesian position, or to translate to the C.O.M.

  > > C++ signature :

  > > > void fix_com(psi::Molecule {lvalue},bool)

`psi4.Molecule.``fix_orientation`()

  Python Library Documentation: method fix_orientation

  fix_orientation(...) unbound psi4.Molecule method

  > fix_orientation( (Molecule)arg1, (bool)arg2) -> None :

  > > Fix the orientation at its current frame

  > > C++ signature :

  > > > void fix_orientation(psi::Molecule {lvalue},bool)

`psi4.Molecule.``form_symmetry_information`()

  Python Library Documentation: method form_symmetry_information

  form_symmetry_information(...) unbound psi4.Molecule method

  > form_symmetry_information( (Molecule)arg1, (float)arg2) -> None :

  > > Uses the point group object obtain by calling point_group()

  > > C++ signature :

  > > > void form_symmetry_information(psi::Molecule {lvalue},double)

`psi4.Molecule.``geometry`()

  Python Library Documentation: method geometry

  geometry(...) unbound psi4.Molecule method

  > geometry( (Molecule)arg1) -> Matrix :

  > > Gets the geometry as a (Natom X 3) matrix of coordinates (in Bohr)

  > > C++ signature :

  > > > psi::Matrix geometry(psi::Molecule {lvalue})

`psi4.Molecule.``get_full_point_group`()

  Python Library Documentation: method get_full_point_group

  get_full_point_group(...) unbound psi4.Molecule method

  > get_full_point_group( (Molecule)arg1) -> str :

  > > Gets point group name such as C3v or S8

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > get_full_point_group(psi::Molecule {lvalue})

`psi4.Molecule.``get_variable`()

  Python Library Documentation: method get_variable

  get_variable(...) unbound psi4.Molecule method

  > get_variable( (Molecule)arg1, (str)arg2) -> float :

  > > Checks if variable arg2 is in the list, sets it to val and returns true if it is, and returns false if not

  > > C++ signature :

  > > > double get_variable(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Molecule.``init_with_checkpoint`()

  Python Library Documentation: method init_with_checkpoint

  init_with_checkpoint(...) unbound psi4.Molecule method

  > init_with_checkpoint( (Molecule)arg1, (Checkpoint)arg2) -> None :

  > > Populate arg1 member data with information from checkpoint file arg2

  > > C++ signature :

  > > > void init_with_checkpoint(psi::Molecule {lvalue},boost::shared_ptr<psi::Chkpt>)

`psi4.Molecule.``init_with_io`()

  Python Library Documentation: method init_with_io

  init_with_io(...) unbound psi4.Molecule method

  > init_with_io( (Molecule)arg1, (IO)arg2) -> None :

  > > Creates a new checkpoint file with information from arg2

  > > C++ signature :

  > > > void init_with_io(psi::Molecule {lvalue},boost::shared_ptr<psi::PSIO>)

`psi4.Molecule.``is_variable`()

  Python Library Documentation: method is_variable

  is_variable(...) unbound psi4.Molecule method

  > is_variable( (Molecule)arg1, (str)arg2) -> bool :

  > > Checks if variable arg2 is in the list, returns true if it is, and returns false if not

  > > C++ signature :

  > > > bool is_variable(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Molecule.``label`()

  Python Library Documentation: method label

  label(...) unbound psi4.Molecule method

  > label( (Molecule)arg1, (int)arg2) -> str :

  > > Gets the original label of the atom as given in the input file (C2, H4)

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > label(psi::Molecule {lvalue},int)

`psi4.Molecule.``mass`()

  Python Library Documentation: method mass

  mass(...) unbound psi4.Molecule method

  > mass( (Molecule)arg1, (int)arg2) -> float :

  > > Gets mass of atom arg2

  > > C++ signature :

  > > > double mass(psi::Molecule {lvalue},int)

`psi4.Molecule.``molecular_charge`()

  Python Library Documentation: method molecular_charge

  molecular_charge(...) unbound psi4.Molecule method

  > molecular_charge( (Molecule)arg1) -> int :

  > > Gets the molecular charge

  > > C++ signature :

  > > > int molecular_charge(psi::Molecule {lvalue})

`psi4.Molecule.``move_to_com`()

  Python Library Documentation: method move_to_com

  move_to_com(...) unbound psi4.Molecule method

  > move_to_com( (Molecule)arg1) -> None :

  > > Moves molecule to center of mass

  > > C++ signature :

  > > > void move_to_com(psi::Molecule {lvalue})

`psi4.Molecule.``multiplicity`()

  Python Library Documentation: method multiplicity

  multiplicity(...) unbound psi4.Molecule method

  > multiplicity( (Molecule)arg1) -> int :

  > > Gets the multiplicity (defined as 2Ms + 1)

  > > C++ signature :

  > > > int multiplicity(psi::Molecule {lvalue})

`psi4.Molecule.``name`()

  Python Library Documentation: method name

  name(...) unbound psi4.Molecule method

  > name( (Molecule)arg1) -> str :

  > > Gets molecule name

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > name(psi::Molecule {lvalue})

`psi4.Molecule.``natom`()

  Python Library Documentation: method natom

  natom(...) unbound psi4.Molecule method

  > natom( (Molecule)arg1) -> int :

  > > Number of real atoms

  > > C++ signature :

  > > > int natom(psi::Molecule {lvalue})

`psi4.Molecule.``nfragments`()

  Python Library Documentation: method nfragments

  nfragments(...) unbound psi4.Molecule method

  > nfragments( (Molecule)arg1) -> int :

  > > Gets the number of fragments in the molecule

  > > C++ signature :

  > > > int nfragments(psi::Molecule {lvalue})

`psi4.Molecule.``nuclear_repulsion_energy`()

  Python Library Documentation: method nuclear_repulsion_energy

  nuclear_repulsion_energy(...) unbound psi4.Molecule method

  > nuclear_repulsion_energy( (Molecule)arg1) -> float :

  > > Computes nuclear repulsion energy

  > > C++ signature :

  > > > double nuclear_repulsion_energy(psi::Molecule {lvalue})

`psi4.Molecule.``point_group`()

  Python Library Documentation: method point_group

  point_group(...) unbound psi4.Molecule method

  > point_group( (Molecule)arg1) -> PointGroup :

  > > Returns the current point group object

  > > C++ signature :

  > > > boost::shared_ptr<psi::PointGroup> point_group(psi::Molecule {lvalue})

`psi4.Molecule.``print_in_input_format`()

  Python Library Documentation: method print_in_input_format

  print_in_input_format(...) unbound psi4.Molecule method

  > print_in_input_format( (Molecule)arg1) -> None :

  > > Prints the molecule as Cartesian or ZMatrix entries, just as inputted.

  > > C++ signature :

  > > > void print_in_input_format(psi::Molecule {lvalue})

`psi4.Molecule.``print_out`()

  Python Library Documentation: method print_out

  print_out(...) unbound psi4.Molecule method

  > print_out( (Molecule)arg1) -> None :

  > > Prints the molecule in Cartesians in input units

  > > C++ signature :

  > > > void print_out(psi::Molecule {lvalue})

`psi4.Molecule.``print_out_in_angstrom`()

  Python Library Documentation: method print_out_in_angstrom

  print_out_in_angstrom(...) unbound psi4.Molecule method

  > print_out_in_angstrom( (Molecule)arg1) -> None :

  > > Prints the molecule in Cartesians in Angstroms

  > > C++ signature :

  > > > void print_out_in_angstrom(psi::Molecule {lvalue})

`psi4.Molecule.``print_out_in_bohr`()

  Python Library Documentation: method print_out_in_bohr

  print_out_in_bohr(...) unbound psi4.Molecule method

  > print_out_in_bohr( (Molecule)arg1) -> None :

  > > Prints the molecule in Cartesians in Bohr

  > > C++ signature :

  > > > void print_out_in_bohr(psi::Molecule {lvalue})

`psi4.Molecule.``reinterpret_coordentry`()

  Python Library Documentation: method reinterpret_coordentry

  reinterpret_coordentry(...) unbound psi4.Molecule method

  > reinterpret_coordentry( (Molecule)arg1, (bool)arg2) -> None :

  > > Do reinterpret coordinate entries during update_geometry().

  > > C++ signature :

  > > > void reinterpret_coordentry(psi::Molecule {lvalue},bool)

`psi4.Molecule.``reset_point_group`()

  Python Library Documentation: method reset_point_group

  reset_point_group(...) unbound psi4.Molecule method

  > reset_point_group( (Molecule)arg1, (str)arg2) -> None :

  > > Overrides symmetry from outside the molecule string

  > > C++ signature :

  > > > void reset_point_group(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Molecule.``rotational_constants`()

  Python Library Documentation: method rotational_constants

  rotational_constants(...) unbound psi4.Molecule method

  > rotational_constants( (Molecule)arg1, (float)arg2) -> Vector :

  > > Prints the rotational constants of the molecule

  > > C++ signature :

  > > > psi::Vector rotational_constants(psi::Molecule {lvalue},double)

`psi4.Molecule.``run_dftd3`()

  Python Library Documentation: method run_dftd3 in module qcdb.interface_dftd3

  run_dftd3(self, func=None, dashlvl=None, dashparam=None, dertype=None) unbound psi4.Molecule method

  > Function to call Grimme’s dftd3 program (http://toc.uni-muenster.de/DFTD3/)

  > to compute the -D correction of level dashlvl using parameters for

  > the functional func. The dictionary dashparam can be used to supply

  > a full set of dispersion parameters in the absense of func or to supply

  > individual overrides in the presence of func. Returns energy if dertype is 0,

  > gradient if dertype is 1, else tuple of energy and gradient if dertype

  > unspecified. The dftd3 executable must be independently compiled and found in

  > `PATH` or `PSIPATH`.

`psi4.Molecule.``save_string_xyz`()

  Python Library Documentation: method save_string_xyz

  save_string_xyz(...) unbound psi4.Molecule method

  > save_string_xyz( (Molecule)arg1) -> str :

  > > Saves the string of an XYZ file to arg2

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > save_string_xyz(psi::Molecule {lvalue})

`psi4.Molecule.``save_string_xyz_file`()

  Python Library Documentation: method save_string_xyz_file

  save_string_xyz_file(...) unbound psi4.Molecule method

  > save_string_xyz_file( (Molecule)arg1) -> str :

  > > Saves an XYZ file to arg2

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > save_string_xyz_file(psi::Molecule {lvalue})

`psi4.Molecule.``save_to_checkpoint`()

  Python Library Documentation: method save_to_checkpoint

  save_to_checkpoint(...) unbound psi4.Molecule method

  > save_to_checkpoint( (Molecule)arg1, (Checkpoint)arg2, (str)arg3) -> None :

  > > Saves molecule information to checkpoint file arg2 with prefix arg3

  > > C++ signature :

  > > > void save_to_checkpoint(psi::Molecule {lvalue},boost::shared_ptr<psi::Chkpt>,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Molecule.``save_xyz_file`()

  Python Library Documentation: method save_xyz_file

  save_xyz_file(...) unbound psi4.Molecule method

  > save_xyz_file( (Molecule)arg1, (str)arg2, (bool)arg3) -> None :

  > > Saves an XYZ file to arg2

  > > C++ signature :

  > > > void save_xyz_file(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,bool)

`psi4.Molecule.``schoenflies_symbol`()

  Python Library Documentation: method schoenflies_symbol

  schoenflies_symbol(...) unbound psi4.Molecule method

  > schoenflies_symbol( (Molecule)arg1) -> str :

  > > Returns the Schoenflies symbol

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > schoenflies_symbol(psi::Molecule {lvalue})

`psi4.Molecule.``set_active_fragment`()

  Python Library Documentation: method set_active_fragment

  set_active_fragment(...) unbound psi4.Molecule method

  > set_active_fragment( (Molecule)arg1, (int)arg2) -> None :

  > > Sets the specified fragment arg2 to be Real

  > > C++ signature :

  > > > void set_active_fragment(psi::Molecule {lvalue},int)

`psi4.Molecule.``set_active_fragments`()

  Python Library Documentation: method set_active_fragments

  set_active_fragments(...) unbound psi4.Molecule method

  > set_active_fragments( (Molecule)arg1, (list)arg2) -> None :

  > > Sets the specified list arg2 of fragments to be Real

  > > C++ signature :

  > > > void set_active_fragments(psi::Molecule {lvalue},boost::python::list)

`psi4.Molecule.``set_basis_all_atoms`()

  Python Library Documentation: method set_basis_all_atoms

  set_basis_all_atoms(...) unbound psi4.Molecule method

  > set_basis_all_atoms( (Molecule)arg1, (str)arg2, (str)arg3) -> None :

  > > Sets basis set arg2 to all atoms

  > > C++ signature :

  > > > void set_basis_all_atoms(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Molecule.``set_basis_by_label`()

  Python Library Documentation: method set_basis_by_label

  set_basis_by_label(...) unbound psi4.Molecule method

  > set_basis_by_label( (Molecule)arg1, (str)arg2, (str)arg3, (str)arg4) -> None :

  > > Sets basis set arg3 to all atoms with label (e.g., H4) arg2

  > > C++ signature :

  > > > void set_basis_by_label(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Molecule.``set_basis_by_symbol`()

  Python Library Documentation: method set_basis_by_symbol

  set_basis_by_symbol(...) unbound psi4.Molecule method

  > set_basis_by_symbol( (Molecule)arg1, (str)arg2, (str)arg3, (str)arg4) -> None :

  > > Sets basis set arg3 to all atoms with symbol (e.g., H) arg2

  > > C++ signature :

  > > > void set_basis_by_symbol(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Molecule.``set_geometry`()

  Python Library Documentation: method set_geometry

  set_geometry(...) unbound psi4.Molecule method

  > set_geometry( (Molecule)arg1, (Matrix)arg2) -> None :

  > > Sets the geometry, given a (Natom X 3) matrix arg2 of coordinates (in Bohr)

  > > C++ signature :

  > > > void set_geometry(psi::Molecule {lvalue},psi::Matrix)

`psi4.Molecule.``set_ghost_fragment`()

  Python Library Documentation: method set_ghost_fragment

  set_ghost_fragment(...) unbound psi4.Molecule method

  > set_ghost_fragment( (Molecule)arg1, (int)arg2) -> None :

  > > Sets the specified fragment arg2 to be Ghost

  > > C++ signature :

  > > > void set_ghost_fragment(psi::Molecule {lvalue},int)

`psi4.Molecule.``set_ghost_fragments`()

  Python Library Documentation: method set_ghost_fragments

  set_ghost_fragments(...) unbound psi4.Molecule method

  > set_ghost_fragments( (Molecule)arg1, (list)arg2) -> None :

  > > Sets the specified list arg2 of fragments to be Ghost

  > > C++ signature :

  > > > void set_ghost_fragments(psi::Molecule {lvalue},boost::python::list)

`psi4.Molecule.``set_mass`()

  Python Library Documentation: method set_mass

  set_mass(...) unbound psi4.Molecule method

  > set_mass( (Molecule)arg1, (int)arg2, (float)arg3) -> None :

  > > Gets mass of atom arg2

  > > C++ signature :

  > > > void set_mass(psi::Molecule {lvalue},int,double)

`psi4.Molecule.``set_molecular_charge`()

  Python Library Documentation: method set_molecular_charge

  set_molecular_charge(...) unbound psi4.Molecule method

  > set_molecular_charge( (Molecule)arg1, (int)arg2) -> None :

  > > Sets the molecular charge

  > > C++ signature :

  > > > void set_molecular_charge(psi::Molecule {lvalue},int)

`psi4.Molecule.``set_multiplicity`()

  Python Library Documentation: method set_multiplicity

  set_multiplicity(...) unbound psi4.Molecule method

  > set_multiplicity( (Molecule)arg1, (int)arg2) -> None :

  > > Sets the multiplicity (defined as 2Ms + 1)

  > > C++ signature :

  > > > void set_multiplicity(psi::Molecule {lvalue},int)

`psi4.Molecule.``set_name`()

  Python Library Documentation: method set_name

  set_name(...) unbound psi4.Molecule method

  > set_name( (Molecule)arg1, (str)arg2) -> None :

  > > Sets molecule name

  > > C++ signature :

  > > > void set_name(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Molecule.``set_point_group`()

  Python Library Documentation: method set_point_group

  set_point_group(...) unbound psi4.Molecule method

  > set_point_group( (Molecule)arg1, (PointGroup)arg2) -> None :

  > > Sets the molecular point group to the point group object arg2

  > > C++ signature :

  > > > void set_point_group(psi::Molecule {lvalue},boost::shared_ptr<psi::PointGroup>)

`psi4.Molecule.``set_variable`()

  Python Library Documentation: method set_variable

  set_variable(...) unbound psi4.Molecule method

  > set_variable( (Molecule)arg1, (str)arg2, (float)arg3) -> None :

  > > Assigns the value arg3 to the variable arg2 in the list of geometry variables, then calls update_geometry()

  > > C++ signature :

  > > > void set_variable(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double)

`psi4.Molecule.``symbol`()

  Python Library Documentation: method symbol

  symbol(...) unbound psi4.Molecule method

  > symbol( (Molecule)arg1, (int)arg2) -> str :

  > > Gets the cleaned up label of atom arg2 (C2 => C, H4 = H)

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > symbol(psi::Molecule {lvalue},int)

`psi4.Molecule.``symmetrize`()

  Python Library Documentation: method symmetrize

  symmetrize(...) unbound psi4.Molecule method

  > symmetrize( (Molecule)arg1, (float)arg2) -> None :

  > > Finds the highest point Abelian point group within the specified tolerance, and forces the geometry to have that symmetry.

  > > C++ signature :

  > > > void symmetrize(psi::Molecule {lvalue},double)

`psi4.Molecule.``translate`()

  Python Library Documentation: method translate

  translate(...) unbound psi4.Molecule method

  > translate( (Molecule)arg1, (Vector3)arg2) -> None :

  > > Translates molecule by arg2

  > > C++ signature :

  > > > void translate(psi::Molecule {lvalue},psi::Vector3)

`psi4.Molecule.``units`()

  Python Library Documentation: property

  > Units (Angstrom or Bohr) used to define the geometry

`psi4.Molecule.``update_geometry`()

  Python Library Documentation: method update_geometry

  update_geometry(...) unbound psi4.Molecule method

  > update_geometry( (Molecule)arg1) -> None :

  > > Reevaluates the geometry with current variable values, orientation directives, etc. Must be called after initial Molecule definition by string.

  > > C++ signature :

  > > > void update_geometry(psi::Molecule {lvalue})

`psi4.Molecule.``x`()

  Python Library Documentation: method x

  x(...) unbound psi4.Molecule method

  > x( (Molecule)arg1, (int)arg2) -> float :

  > > x position of atom

  > > C++ signature :

  > > > double x(psi::Molecule {lvalue},int)

`psi4.Molecule.``y`()

  Python Library Documentation: method y

  y(...) unbound psi4.Molecule method

  > y( (Molecule)arg1, (int)arg2) -> float :

  > > y position of atom

  > > C++ signature :

  > > > double y(psi::Molecule {lvalue},int)

`psi4.Molecule.``z`()

  Python Library Documentation: method z

  z(...) unbound psi4.Molecule method

  > z( (Molecule)arg1, (int)arg2) -> float :

  > > z position of atom

  > > C++ signature :

  > > > double z(psi::Molecule {lvalue},int)

## MultipoleInt

`psi4.MultipoleInt.``basis`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.MultipoleInt.``basis1`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.MultipoleInt.``basis2`()

  Python Library Documentation: property

  > The basis set on center two

`psi4.MultipoleInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.MultipoleInt method

  > compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_shell(psi::OneBodyAOInt {lvalue},int,int)

`psi4.MultipoleInt.``origin`()

  Python Library Documentation: property

  > The origin about which the one body ints are being computed.

`psi4.MultipoleInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.MultipoleInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.MultipoleInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.MultipoleInt method

  > set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)

## MultipoleSymmetry

`psi4.MultipoleSymmetry.``create_matrices`()

  Python Library Documentation: method create_matrices

  create_matrices(...) unbound psi4.MultipoleSymmetry method

  > create_matrices( (MultipoleSymmetry)arg1, (str)arg2) -> matrix_vector :

  > > docstring

  > > C++ signature :

  > > > std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > create_matrices(psi::OperatorSymmetry {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

## NBOWriter

`psi4.NBOWriter.``write`()

  Python Library Documentation: method write

  write(...) unbound psi4.NBOWriter method

  > write( (NBOWriter)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void write(psi::NBOWriter {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

## NablaInt

`psi4.NablaInt.``basis`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.NablaInt.``basis1`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.NablaInt.``basis2`()

  Python Library Documentation: property

  > The basis set on center two

`psi4.NablaInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.NablaInt method

  > compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_shell(psi::OneBodyAOInt {lvalue},int,int)

`psi4.NablaInt.``origin`()

  Python Library Documentation: property

  > The origin about which the one body ints are being computed.

`psi4.NablaInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.NablaInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.NablaInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.NablaInt method

  > set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)

## OEProp

`psi4.OEProp.``add`()

  Python Library Documentation: method add

  add(...) unbound psi4.OEProp method

  > add( (OEProp)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void add(psi::OEProp {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.OEProp.``compute`()

  Python Library Documentation: method compute

  compute(...) unbound psi4.OEProp method

  > compute( (OEProp)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute(psi::OEProp {lvalue})

`psi4.OEProp.``set_title`()

  Python Library Documentation: method set_title

  set_title(...) unbound psi4.OEProp method

  > set_title( (OEProp)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_title(psi::OEProp {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

## OneBodyAOInt

`psi4.OneBodyAOInt.``basis`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.OneBodyAOInt.``basis1`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.OneBodyAOInt.``basis2`()

  Python Library Documentation: property

  > The basis set on center two

`psi4.OneBodyAOInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.OneBodyAOInt method

  > compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_shell(psi::OneBodyAOInt {lvalue},int,int)

`psi4.OneBodyAOInt.``origin`()

  Python Library Documentation: property

  > The origin about which the one body ints are being computed.

`psi4.OneBodyAOInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.OneBodyAOInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.OneBodyAOInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.OneBodyAOInt method

  > set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)

## OrbitalSpace

`psi4.OrbitalSpace.``C`()

  Python Library Documentation: method C

  C(...) unbound psi4.OrbitalSpace method

  > C( (OrbitalSpace)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> C(psi::OrbitalSpace {lvalue})

`psi4.OrbitalSpace.``basisset`()

  Python Library Documentation: method basisset

  basisset(...) unbound psi4.OrbitalSpace method

  > basisset( (OrbitalSpace)arg1) -> BasisSet :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::BasisSet> basisset(psi::OrbitalSpace {lvalue})

`psi4.OrbitalSpace.``build_cabs_space`()

  Python Library Documentation: built-in function build_cabs_space

  build_cabs_space(...)

  > build_cabs_space( (OrbitalSpace)arg1, (OrbitalSpace)arg2, (float)arg3) -> OrbitalSpace :

  > > docstring

  > > C++ signature :

  > > > psi::OrbitalSpace build_cabs_space(psi::OrbitalSpace,psi::OrbitalSpace,double)

`psi4.OrbitalSpace.``build_ri_space`()

  Python Library Documentation: built-in function build_ri_space

  build_ri_space(...)

  > build_ri_space( (Molecule)arg1, (str)arg2, (str)arg3, (float)arg4) -> OrbitalSpace :

  > > docstring

  > > C++ signature :

  > > > psi::OrbitalSpace build_ri_space(boost::shared_ptr<psi::Molecule>,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double)

`psi4.OrbitalSpace.``dim`()

  Python Library Documentation: method dim

  dim(...) unbound psi4.OrbitalSpace method

  > dim( (OrbitalSpace)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension dim(psi::OrbitalSpace {lvalue})

`psi4.OrbitalSpace.``evals`()

  Python Library Documentation: method evals

  evals(...) unbound psi4.OrbitalSpace method

  > evals( (OrbitalSpace)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> evals(psi::OrbitalSpace {lvalue})

`psi4.OrbitalSpace.``id`()

  Python Library Documentation: method id

  id(...) unbound psi4.OrbitalSpace method

  > id( (OrbitalSpace)arg1) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > id(psi::OrbitalSpace {lvalue})

`psi4.OrbitalSpace.``integral`()

  Python Library Documentation: method integral

  integral(...) unbound psi4.OrbitalSpace method

  > integral( (OrbitalSpace)arg1) -> IntegralFactory :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::IntegralFactory> integral(psi::OrbitalSpace {lvalue})

`psi4.OrbitalSpace.``name`()

  Python Library Documentation: method name

  name(...) unbound psi4.OrbitalSpace method

  > name( (OrbitalSpace)arg1) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > name(psi::OrbitalSpace {lvalue})

`psi4.OrbitalSpace.``nirrep`()

  Python Library Documentation: method nirrep

  nirrep(...) unbound psi4.OrbitalSpace method

  > nirrep( (OrbitalSpace)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nirrep(psi::OrbitalSpace {lvalue})

`psi4.OrbitalSpace.``print_out`()

  Python Library Documentation: method print_out

  print_out(...) unbound psi4.OrbitalSpace method

  > print_out( (OrbitalSpace)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_out(psi::OrbitalSpace {lvalue})

## OverlapInt

`psi4.OverlapInt.``basis`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.OverlapInt.``basis1`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.OverlapInt.``basis2`()

  Python Library Documentation: property

  > The basis set on center two

`psi4.OverlapInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.OverlapInt method

  > compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_shell(psi::OneBodyAOInt {lvalue},int,int)

`psi4.OverlapInt.``origin`()

  Python Library Documentation: property

  > The origin about which the one body ints are being computed.

`psi4.OverlapInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.OverlapInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.OverlapInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.OverlapInt method

  > set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)

## PMLocalizer

`psi4.PMLocalizer.``L`()

  Python Library Documentation: property

  > Localized orbital coefficients

`psi4.PMLocalizer.``U`()

  Python Library Documentation: property

  > Orbital rotation matrix

`psi4.PMLocalizer.``build`()

  Python Library Documentation: built-in function build

  build(...)

  > build( (str)arg1, (BasisSet)arg2, (Matrix)arg3) -> Localizer :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Localizer> build(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::Matrix>)

`psi4.PMLocalizer.``converged`()

  Python Library Documentation: property

  > Did the localization procedure converge?

`psi4.PMLocalizer.``localize`()

  Python Library Documentation: method localize

  localize(...) unbound psi4.PMLocalizer method

  > localize( (Localizer)arg1) -> None :

  > > Perform the localization procedure

  > > C++ signature :

  > > > void localize(psi::Localizer {lvalue})

## PetiteList

`psi4.PetiteList.``aotoso`()

  Python Library Documentation: method aotoso

  aotoso(...) unbound psi4.PetiteList method

  > aotoso( (PetiteList)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> aotoso(psi::PetiteList {lvalue})

`psi4.PetiteList.``print`()

  Python Library Documentation: method print

  print(...) unbound psi4.PetiteList method

  > print( (PetiteList)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void print(psi::PetiteList {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.PetiteList.``sotoao`()

  Python Library Documentation: method sotoao

  sotoao(...) unbound psi4.PetiteList method

  > sotoao( (PetiteList)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> sotoao(psi::PetiteList {lvalue})

## PointGroup

`psi4.PointGroup.``symbol`()

  Python Library Documentation: method symbol

  symbol(...) unbound psi4.PointGroup method

  > symbol( (PointGroup)arg1) -> str :

  > > Returns Schoenflies symbol for point group

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > symbol(psi::PointGroup {lvalue})

## PotentialInt

`psi4.PotentialInt.``basis`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.PotentialInt.``basis1`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.PotentialInt.``basis2`()

  Python Library Documentation: property

  > The basis set on center two

`psi4.PotentialInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.PotentialInt method

  > compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_shell(psi::OneBodyAOInt {lvalue},int,int)

`psi4.PotentialInt.``origin`()

  Python Library Documentation: property

  > The origin about which the one body ints are being computed.

`psi4.PotentialInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.PotentialInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.PotentialInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.PotentialInt method

  > set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)

## Process

`psi4.Process.``environment`()

  Python Library Documentation: Environment in module psi4 object

  class Environment(Boost.Python.instance)

  > Method resolution order:
  > Environment
  > Boost.Python.instance
  > __builtin__.object
  > Methods defined here:
  > __getitem__(...)
  > __getitem__( (Environment)arg1, (str)arg2) -> str :
  > docstring
  > C++ signature :
  > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > __getitem__(psi::Process::Environment {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
  > __init__(...)
  > __init__( (object)arg1) -> None :
  > C++ signature :
  > void __init__(_object*)
  > __reduce__ = <unnamed Boost.Python function>(...)
  > ———————————————————————-
  > Data and other attributes defined here:
  > __instance_size__ = 472
  > ———————————————————————-
  > Data descriptors inherited from Boost.Python.instance:
  > __dict__
  > __weakref__
  > ———————————————————————-
  > Data and other attributes inherited from Boost.Python.instance:
  > __new__ = <built-in method __new__ of Boost.Python.class object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

## PseudoTrial

`psi4.PseudoTrial.``getA`()

  Python Library Documentation: method getA

  getA(...) unbound psi4.PseudoTrial method

  > getA( (PseudoTrial)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> getA(psi::PseudoTrial {lvalue})

`psi4.PseudoTrial.``getI`()

  Python Library Documentation: method getI

  getI(...) unbound psi4.PseudoTrial method

  > getI( (PseudoTrial)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> getI(psi::PseudoTrial {lvalue})

`psi4.PseudoTrial.``getIPS`()

  Python Library Documentation: method getIPS

  getIPS(...) unbound psi4.PseudoTrial method

  > getIPS( (PseudoTrial)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> getIPS(psi::PseudoTrial {lvalue})

`psi4.PseudoTrial.``getQ`()

  Python Library Documentation: method getQ

  getQ(...) unbound psi4.PseudoTrial method

  > getQ( (PseudoTrial)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> getQ(psi::PseudoTrial {lvalue})

`psi4.PseudoTrial.``getR`()

  Python Library Documentation: method getR

  getR(...) unbound psi4.PseudoTrial method

  > getR( (PseudoTrial)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> getR(psi::PseudoTrial {lvalue})

## PseudospectralInt

`psi4.PseudospectralInt.``basis`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.PseudospectralInt.``basis1`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.PseudospectralInt.``basis2`()

  Python Library Documentation: property

  > The basis set on center two

`psi4.PseudospectralInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.PseudospectralInt method

  > compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_shell(psi::OneBodyAOInt {lvalue},int,int)

`psi4.PseudospectralInt.``origin`()

  Python Library Documentation: property

  > The origin about which the one body ints are being computed.

`psi4.PseudospectralInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.PseudospectralInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.PseudospectralInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.PseudospectralInt method

  > set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)

## PsiReturnType

`psi4.PsiReturnType.``Balk`()

  Python Library Documentation: PsiReturnType in module psi4 object

  class PsiReturnType(Boost.Python.enum)

  > docstring
  > Method resolution order:
  > PsiReturnType
  > Boost.Python.enum
  > __builtin__.int
  > __builtin__.object
  > Data and other attributes defined here:
  > Balk = psi4.PsiReturnType.Balk
  > EndLoop = psi4.PsiReturnType.EndLoop
  > Failure = psi4.PsiReturnType.Failure
  > Success = psi4.PsiReturnType.Success
  > names = {‘Balk’: psi4.PsiReturnType.Balk, ‘EndLoop’: psi4.PsiReturnTyp...
  > values = {0: psi4.PsiReturnType.Success, 1: psi4.PsiReturnType.Failure...
  > ———————————————————————-
  > Methods inherited from Boost.Python.enum:
  > __repr__(...)
  > x.__repr__() <==> repr(x)
  > __str__(...)
  > x.__str__() <==> str(x)
  > ———————————————————————-
  > Data descriptors inherited from Boost.Python.enum:
  > name
  > ———————————————————————-
  > Methods inherited from __builtin__.int:
  > __abs__(...)
  > x.__abs__() <==> abs(x)
  > __add__(...)
  > x.__add__(y) <==> x+y
  > __and__(...)
  > x.__and__(y) <==> x&y
  > __cmp__(...)
  > x.__cmp__(y) <==> cmp(x,y)
  > __coerce__(...)
  > x.__coerce__(y) <==> coerce(x, y)
  > __div__(...)
  > x.__div__(y) <==> x/y
  > __divmod__(...)
  > x.__divmod__(y) <==> divmod(x, y)
  > __float__(...)
  > x.__float__() <==> float(x)
  > __floordiv__(...)
  > x.__floordiv__(y) <==> x//y
  > __format__(...)
  > __getattribute__(...)
  > x.__getattribute__(‘name’) <==> x.name
  > __getnewargs__(...)
  > __hash__(...)
  > x.__hash__() <==> hash(x)
  > __hex__(...)
  > x.__hex__() <==> hex(x)
  > __index__(...)
  > x[y:z] <==> x[y.__index__():z.__index__()]
  > __int__(...)
  > x.__int__() <==> int(x)
  > __invert__(...)
  > x.__invert__() <==> ~x
  > __long__(...)
  > x.__long__() <==> long(x)
  > __lshift__(...)
  > x.__lshift__(y) <==> x<<y
  > __mod__(...)
  > x.__mod__(y) <==> x%y
  > __mul__(...)
  > x.__mul__(y) <==> x*y
  > __neg__(...)
  > x.__neg__() <==> -x
  > __nonzero__(...)
  > x.__nonzero__() <==> x != 0
  > __oct__(...)
  > x.__oct__() <==> oct(x)
  > __or__(...)
  > x.__or__(y) <==> x|y
  > __pos__(...)
  > x.__pos__() <==> +x
  > __pow__(...)
  > x.__pow__(y[, z]) <==> pow(x, y[, z])
  > __radd__(...)
  > x.__radd__(y) <==> y+x
  > __rand__(...)
  > x.__rand__(y) <==> y&x
  > __rdiv__(...)
  > x.__rdiv__(y) <==> y/x
  > __rdivmod__(...)
  > x.__rdivmod__(y) <==> divmod(y, x)
  > __rfloordiv__(...)
  > x.__rfloordiv__(y) <==> y//x
  > __rlshift__(...)
  > x.__rlshift__(y) <==> y<<x
  > __rmod__(...)
  > x.__rmod__(y) <==> y%x
  > __rmul__(...)
  > x.__rmul__(y) <==> y*x
  > __ror__(...)
  > x.__ror__(y) <==> y|x
  > __rpow__(...)
  > y.__rpow__(x[, z]) <==> pow(x, y[, z])
  > __rrshift__(...)
  > x.__rrshift__(y) <==> y>>x
  > __rshift__(...)
  > x.__rshift__(y) <==> x>>y
  > __rsub__(...)
  > x.__rsub__(y) <==> y-x
  > __rtruediv__(...)
  > x.__rtruediv__(y) <==> y/x
  > __rxor__(...)
  > x.__rxor__(y) <==> y^x
  > __sub__(...)
  > x.__sub__(y) <==> x-y
  > __truediv__(...)
  > x.__truediv__(y) <==> x/y
  > __trunc__(...)
  > Truncating an Integral returns itself.
  > __xor__(...)
  > x.__xor__(y) <==> x^y
  > bit_length(...)
  > int.bit_length() -> int
  > Number of bits necessary to represent self in binary.
  > >>> bin(37)
  > ‘0b100101’
  > >>> (37).bit_length()
  > 6
  > conjugate(...)
  > Returns self, the complex conjugate of any int.
  > ———————————————————————-
  > Data descriptors inherited from __builtin__.int:
  > denominator
  > the denominator of a rational number in lowest terms
  > imag
  > the imaginary part of a complex number
  > numerator
  > the numerator of a rational number in lowest terms
  > real
  > the real part of a complex number
  > ———————————————————————-
  > Data and other attributes inherited from __builtin__.int:
  > __new__ = <built-in method __new__ of type object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

`psi4.PsiReturnType.``EndLoop`()

  Python Library Documentation: PsiReturnType in module psi4 object

  class PsiReturnType(Boost.Python.enum)

  > docstring
  > Method resolution order:
  > PsiReturnType
  > Boost.Python.enum
  > __builtin__.int
  > __builtin__.object
  > Data and other attributes defined here:
  > Balk = psi4.PsiReturnType.Balk
  > EndLoop = psi4.PsiReturnType.EndLoop
  > Failure = psi4.PsiReturnType.Failure
  > Success = psi4.PsiReturnType.Success
  > names = {‘Balk’: psi4.PsiReturnType.Balk, ‘EndLoop’: psi4.PsiReturnTyp...
  > values = {0: psi4.PsiReturnType.Success, 1: psi4.PsiReturnType.Failure...
  > ———————————————————————-
  > Methods inherited from Boost.Python.enum:
  > __repr__(...)
  > x.__repr__() <==> repr(x)
  > __str__(...)
  > x.__str__() <==> str(x)
  > ———————————————————————-
  > Data descriptors inherited from Boost.Python.enum:
  > name
  > ———————————————————————-
  > Methods inherited from __builtin__.int:
  > __abs__(...)
  > x.__abs__() <==> abs(x)
  > __add__(...)
  > x.__add__(y) <==> x+y
  > __and__(...)
  > x.__and__(y) <==> x&y
  > __cmp__(...)
  > x.__cmp__(y) <==> cmp(x,y)
  > __coerce__(...)
  > x.__coerce__(y) <==> coerce(x, y)
  > __div__(...)
  > x.__div__(y) <==> x/y
  > __divmod__(...)
  > x.__divmod__(y) <==> divmod(x, y)
  > __float__(...)
  > x.__float__() <==> float(x)
  > __floordiv__(...)
  > x.__floordiv__(y) <==> x//y
  > __format__(...)
  > __getattribute__(...)
  > x.__getattribute__(‘name’) <==> x.name
  > __getnewargs__(...)
  > __hash__(...)
  > x.__hash__() <==> hash(x)
  > __hex__(...)
  > x.__hex__() <==> hex(x)
  > __index__(...)
  > x[y:z] <==> x[y.__index__():z.__index__()]
  > __int__(...)
  > x.__int__() <==> int(x)
  > __invert__(...)
  > x.__invert__() <==> ~x
  > __long__(...)
  > x.__long__() <==> long(x)
  > __lshift__(...)
  > x.__lshift__(y) <==> x<<y
  > __mod__(...)
  > x.__mod__(y) <==> x%y
  > __mul__(...)
  > x.__mul__(y) <==> x*y
  > __neg__(...)
  > x.__neg__() <==> -x
  > __nonzero__(...)
  > x.__nonzero__() <==> x != 0
  > __oct__(...)
  > x.__oct__() <==> oct(x)
  > __or__(...)
  > x.__or__(y) <==> x|y
  > __pos__(...)
  > x.__pos__() <==> +x
  > __pow__(...)
  > x.__pow__(y[, z]) <==> pow(x, y[, z])
  > __radd__(...)
  > x.__radd__(y) <==> y+x
  > __rand__(...)
  > x.__rand__(y) <==> y&x
  > __rdiv__(...)
  > x.__rdiv__(y) <==> y/x
  > __rdivmod__(...)
  > x.__rdivmod__(y) <==> divmod(y, x)
  > __rfloordiv__(...)
  > x.__rfloordiv__(y) <==> y//x
  > __rlshift__(...)
  > x.__rlshift__(y) <==> y<<x
  > __rmod__(...)
  > x.__rmod__(y) <==> y%x
  > __rmul__(...)
  > x.__rmul__(y) <==> y*x
  > __ror__(...)
  > x.__ror__(y) <==> y|x
  > __rpow__(...)
  > y.__rpow__(x[, z]) <==> pow(x, y[, z])
  > __rrshift__(...)
  > x.__rrshift__(y) <==> y>>x
  > __rshift__(...)
  > x.__rshift__(y) <==> x>>y
  > __rsub__(...)
  > x.__rsub__(y) <==> y-x
  > __rtruediv__(...)
  > x.__rtruediv__(y) <==> y/x
  > __rxor__(...)
  > x.__rxor__(y) <==> y^x
  > __sub__(...)
  > x.__sub__(y) <==> x-y
  > __truediv__(...)
  > x.__truediv__(y) <==> x/y
  > __trunc__(...)
  > Truncating an Integral returns itself.
  > __xor__(...)
  > x.__xor__(y) <==> x^y
  > bit_length(...)
  > int.bit_length() -> int
  > Number of bits necessary to represent self in binary.
  > >>> bin(37)
  > ‘0b100101’
  > >>> (37).bit_length()
  > 6
  > conjugate(...)
  > Returns self, the complex conjugate of any int.
  > ———————————————————————-
  > Data descriptors inherited from __builtin__.int:
  > denominator
  > the denominator of a rational number in lowest terms
  > imag
  > the imaginary part of a complex number
  > numerator
  > the numerator of a rational number in lowest terms
  > real
  > the real part of a complex number
  > ———————————————————————-
  > Data and other attributes inherited from __builtin__.int:
  > __new__ = <built-in method __new__ of type object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

`psi4.PsiReturnType.``Failure`()

  Python Library Documentation: PsiReturnType in module psi4 object

  class PsiReturnType(Boost.Python.enum)

  > docstring
  > Method resolution order:
  > PsiReturnType
  > Boost.Python.enum
  > __builtin__.int
  > __builtin__.object
  > Data and other attributes defined here:
  > Balk = psi4.PsiReturnType.Balk
  > EndLoop = psi4.PsiReturnType.EndLoop
  > Failure = psi4.PsiReturnType.Failure
  > Success = psi4.PsiReturnType.Success
  > names = {‘Balk’: psi4.PsiReturnType.Balk, ‘EndLoop’: psi4.PsiReturnTyp...
  > values = {0: psi4.PsiReturnType.Success, 1: psi4.PsiReturnType.Failure...
  > ———————————————————————-
  > Methods inherited from Boost.Python.enum:
  > __repr__(...)
  > x.__repr__() <==> repr(x)
  > __str__(...)
  > x.__str__() <==> str(x)
  > ———————————————————————-
  > Data descriptors inherited from Boost.Python.enum:
  > name
  > ———————————————————————-
  > Methods inherited from __builtin__.int:
  > __abs__(...)
  > x.__abs__() <==> abs(x)
  > __add__(...)
  > x.__add__(y) <==> x+y
  > __and__(...)
  > x.__and__(y) <==> x&y
  > __cmp__(...)
  > x.__cmp__(y) <==> cmp(x,y)
  > __coerce__(...)
  > x.__coerce__(y) <==> coerce(x, y)
  > __div__(...)
  > x.__div__(y) <==> x/y
  > __divmod__(...)
  > x.__divmod__(y) <==> divmod(x, y)
  > __float__(...)
  > x.__float__() <==> float(x)
  > __floordiv__(...)
  > x.__floordiv__(y) <==> x//y
  > __format__(...)
  > __getattribute__(...)
  > x.__getattribute__(‘name’) <==> x.name
  > __getnewargs__(...)
  > __hash__(...)
  > x.__hash__() <==> hash(x)
  > __hex__(...)
  > x.__hex__() <==> hex(x)
  > __index__(...)
  > x[y:z] <==> x[y.__index__():z.__index__()]
  > __int__(...)
  > x.__int__() <==> int(x)
  > __invert__(...)
  > x.__invert__() <==> ~x
  > __long__(...)
  > x.__long__() <==> long(x)
  > __lshift__(...)
  > x.__lshift__(y) <==> x<<y
  > __mod__(...)
  > x.__mod__(y) <==> x%y
  > __mul__(...)
  > x.__mul__(y) <==> x*y
  > __neg__(...)
  > x.__neg__() <==> -x
  > __nonzero__(...)
  > x.__nonzero__() <==> x != 0
  > __oct__(...)
  > x.__oct__() <==> oct(x)
  > __or__(...)
  > x.__or__(y) <==> x|y
  > __pos__(...)
  > x.__pos__() <==> +x
  > __pow__(...)
  > x.__pow__(y[, z]) <==> pow(x, y[, z])
  > __radd__(...)
  > x.__radd__(y) <==> y+x
  > __rand__(...)
  > x.__rand__(y) <==> y&x
  > __rdiv__(...)
  > x.__rdiv__(y) <==> y/x
  > __rdivmod__(...)
  > x.__rdivmod__(y) <==> divmod(y, x)
  > __rfloordiv__(...)
  > x.__rfloordiv__(y) <==> y//x
  > __rlshift__(...)
  > x.__rlshift__(y) <==> y<<x
  > __rmod__(...)
  > x.__rmod__(y) <==> y%x
  > __rmul__(...)
  > x.__rmul__(y) <==> y*x
  > __ror__(...)
  > x.__ror__(y) <==> y|x
  > __rpow__(...)
  > y.__rpow__(x[, z]) <==> pow(x, y[, z])
  > __rrshift__(...)
  > x.__rrshift__(y) <==> y>>x
  > __rshift__(...)
  > x.__rshift__(y) <==> x>>y
  > __rsub__(...)
  > x.__rsub__(y) <==> y-x
  > __rtruediv__(...)
  > x.__rtruediv__(y) <==> y/x
  > __rxor__(...)
  > x.__rxor__(y) <==> y^x
  > __sub__(...)
  > x.__sub__(y) <==> x-y
  > __truediv__(...)
  > x.__truediv__(y) <==> x/y
  > __trunc__(...)
  > Truncating an Integral returns itself.
  > __xor__(...)
  > x.__xor__(y) <==> x^y
  > bit_length(...)
  > int.bit_length() -> int
  > Number of bits necessary to represent self in binary.
  > >>> bin(37)
  > ‘0b100101’
  > >>> (37).bit_length()
  > 6
  > conjugate(...)
  > Returns self, the complex conjugate of any int.
  > ———————————————————————-
  > Data descriptors inherited from __builtin__.int:
  > denominator
  > the denominator of a rational number in lowest terms
  > imag
  > the imaginary part of a complex number
  > numerator
  > the numerator of a rational number in lowest terms
  > real
  > the real part of a complex number
  > ———————————————————————-
  > Data and other attributes inherited from __builtin__.int:
  > __new__ = <built-in method __new__ of type object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

`psi4.PsiReturnType.``Success`()

  Python Library Documentation: PsiReturnType in module psi4 object

  class PsiReturnType(Boost.Python.enum)

  > docstring
  > Method resolution order:
  > PsiReturnType
  > Boost.Python.enum
  > __builtin__.int
  > __builtin__.object
  > Data and other attributes defined here:
  > Balk = psi4.PsiReturnType.Balk
  > EndLoop = psi4.PsiReturnType.EndLoop
  > Failure = psi4.PsiReturnType.Failure
  > Success = psi4.PsiReturnType.Success
  > names = {‘Balk’: psi4.PsiReturnType.Balk, ‘EndLoop’: psi4.PsiReturnTyp...
  > values = {0: psi4.PsiReturnType.Success, 1: psi4.PsiReturnType.Failure...
  > ———————————————————————-
  > Methods inherited from Boost.Python.enum:
  > __repr__(...)
  > x.__repr__() <==> repr(x)
  > __str__(...)
  > x.__str__() <==> str(x)
  > ———————————————————————-
  > Data descriptors inherited from Boost.Python.enum:
  > name
  > ———————————————————————-
  > Methods inherited from __builtin__.int:
  > __abs__(...)
  > x.__abs__() <==> abs(x)
  > __add__(...)
  > x.__add__(y) <==> x+y
  > __and__(...)
  > x.__and__(y) <==> x&y
  > __cmp__(...)
  > x.__cmp__(y) <==> cmp(x,y)
  > __coerce__(...)
  > x.__coerce__(y) <==> coerce(x, y)
  > __div__(...)
  > x.__div__(y) <==> x/y
  > __divmod__(...)
  > x.__divmod__(y) <==> divmod(x, y)
  > __float__(...)
  > x.__float__() <==> float(x)
  > __floordiv__(...)
  > x.__floordiv__(y) <==> x//y
  > __format__(...)
  > __getattribute__(...)
  > x.__getattribute__(‘name’) <==> x.name
  > __getnewargs__(...)
  > __hash__(...)
  > x.__hash__() <==> hash(x)
  > __hex__(...)
  > x.__hex__() <==> hex(x)
  > __index__(...)
  > x[y:z] <==> x[y.__index__():z.__index__()]
  > __int__(...)
  > x.__int__() <==> int(x)
  > __invert__(...)
  > x.__invert__() <==> ~x
  > __long__(...)
  > x.__long__() <==> long(x)
  > __lshift__(...)
  > x.__lshift__(y) <==> x<<y
  > __mod__(...)
  > x.__mod__(y) <==> x%y
  > __mul__(...)
  > x.__mul__(y) <==> x*y
  > __neg__(...)
  > x.__neg__() <==> -x
  > __nonzero__(...)
  > x.__nonzero__() <==> x != 0
  > __oct__(...)
  > x.__oct__() <==> oct(x)
  > __or__(...)
  > x.__or__(y) <==> x|y
  > __pos__(...)
  > x.__pos__() <==> +x
  > __pow__(...)
  > x.__pow__(y[, z]) <==> pow(x, y[, z])
  > __radd__(...)
  > x.__radd__(y) <==> y+x
  > __rand__(...)
  > x.__rand__(y) <==> y&x
  > __rdiv__(...)
  > x.__rdiv__(y) <==> y/x
  > __rdivmod__(...)
  > x.__rdivmod__(y) <==> divmod(y, x)
  > __rfloordiv__(...)
  > x.__rfloordiv__(y) <==> y//x
  > __rlshift__(...)
  > x.__rlshift__(y) <==> y<<x
  > __rmod__(...)
  > x.__rmod__(y) <==> y%x
  > __rmul__(...)
  > x.__rmul__(y) <==> y*x
  > __ror__(...)
  > x.__ror__(y) <==> y|x
  > __rpow__(...)
  > y.__rpow__(x[, z]) <==> pow(x, y[, z])
  > __rrshift__(...)
  > x.__rrshift__(y) <==> y>>x
  > __rshift__(...)
  > x.__rshift__(y) <==> x>>y
  > __rsub__(...)
  > x.__rsub__(y) <==> y-x
  > __rtruediv__(...)
  > x.__rtruediv__(y) <==> y/x
  > __rxor__(...)
  > x.__rxor__(y) <==> y^x
  > __sub__(...)
  > x.__sub__(y) <==> x-y
  > __truediv__(...)
  > x.__truediv__(y) <==> x/y
  > __trunc__(...)
  > Truncating an Integral returns itself.
  > __xor__(...)
  > x.__xor__(y) <==> x^y
  > bit_length(...)
  > int.bit_length() -> int
  > Number of bits necessary to represent self in binary.
  > >>> bin(37)
  > ‘0b100101’
  > >>> (37).bit_length()
  > 6
  > conjugate(...)
  > Returns self, the complex conjugate of any int.
  > ———————————————————————-
  > Data descriptors inherited from __builtin__.int:
  > denominator
  > the denominator of a rational number in lowest terms
  > imag
  > the imaginary part of a complex number
  > numerator
  > the numerator of a rational number in lowest terms
  > real
  > the real part of a complex number
  > ———————————————————————-
  > Data and other attributes inherited from __builtin__.int:
  > __new__ = <built-in method __new__ of type object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

`psi4.PsiReturnType.``bit_length`()

  Python Library Documentation: method_descriptor

  bit_length(...)

  > int.bit_length() -> int

  > Number of bits necessary to represent self in binary.

  >     >>> bin(37)

  > ‘0b100101’

  >     >>> (37).bit_length()

  > 6

`psi4.PsiReturnType.``conjugate`()

  Python Library Documentation: method_descriptor

  conjugate(...)

  > Returns self, the complex conjugate of any int.

`psi4.PsiReturnType.``denominator`()

  Python Library Documentation: getset descriptor __builtin__.int.denominator

  denominator

  > the denominator of a rational number in lowest terms

`psi4.PsiReturnType.``imag`()

  Python Library Documentation: getset descriptor __builtin__.int.imag

  imag

  > the imaginary part of a complex number

`psi4.PsiReturnType.``name`()

  Python Library Documentation: member descriptor Boost.Python.enum.name

  name

`psi4.PsiReturnType.``names`()

  Python Library Documentation: dict object

  class dict(object)

  > dict() -> new empty dictionary
  > dict(mapping) -> new dictionary initialized from a mapping object’s
  > (key, value) pairs
  > dict(iterable) -> new dictionary initialized as if via:
  > d = {}
  > for k, v in iterable:
  > d[k] = v
  > dict(**kwargs) -> new dictionary initialized with the name=value pairs
  > in the keyword argument list. For example: dict(one=1, two=2)
  > Methods defined here:
  > __cmp__(...)
  > x.__cmp__(y) <==> cmp(x,y)
  > __contains__(...)
  > D.__contains__(k) -> True if D has a key k, else False
  > __delitem__(...)
  > x.__delitem__(y) <==> del x[y]
  > __eq__(...)
  > x.__eq__(y) <==> x==y
  > __ge__(...)
  > x.__ge__(y) <==> x>=y
  > __getattribute__(...)
  > x.__getattribute__(‘name’) <==> x.name
  > __getitem__(...)
  > x.__getitem__(y) <==> x[y]
  > __gt__(...)
  > x.__gt__(y) <==> x>y
  > __init__(...)
  > x.__init__(...) initializes x; see help(type(x)) for signature
  > __iter__(...)
  > x.__iter__() <==> iter(x)
  > __le__(...)
  > x.__le__(y) <==> x<=y
  > __len__(...)
  > x.__len__() <==> len(x)
  > __lt__(...)
  > x.__lt__(y) <==> x<y
  > __ne__(...)
  > x.__ne__(y) <==> x!=y
  > __repr__(...)
  > x.__repr__() <==> repr(x)
  > __setitem__(...)
  > x.__setitem__(i, y) <==> x[i]=y
  > __sizeof__(...)
  > D.__sizeof__() -> size of D in memory, in bytes
  > clear(...)
  > D.clear() -> None. Remove all items from D.
  > copy(...)
  > D.copy() -> a shallow copy of D
  > fromkeys(...)
  > dict.fromkeys(S[,v]) -> New dict with keys from S and values equal to v.
  > v defaults to None.
  > get(...)
  > D.get(k[,d]) -> D[k] if k in D, else d. d defaults to None.
  > has_key(...)
  > D.has_key(k) -> True if D has a key k, else False
  > items(...)
  > D.items() -> list of D’s (key, value) pairs, as 2-tuples
  > iteritems(...)
  > D.iteritems() -> an iterator over the (key, value) items of D
  > iterkeys(...)
  > D.iterkeys() -> an iterator over the keys of D
  > itervalues(...)
  > D.itervalues() -> an iterator over the values of D
  > keys(...)
  > D.keys() -> list of D’s keys
  > pop(...)
  > D.pop(k[,d]) -> v, remove specified key and return the corresponding value.
  > If key is not found, d is returned if given, otherwise KeyError is raised
  > popitem(...)
  > D.popitem() -> (k, v), remove and return some (key, value) pair as a
  > 2-tuple; but raise KeyError if D is empty.
  > setdefault(...)
  > D.setdefault(k[,d]) -> D.get(k,d), also set D[k]=d if k not in D
  > update(...)
  > D.update([E, ]**F) -> None. Update D from dict/iterable E and F.
  > If E present and has a .keys() method, does: for k in E: D[k] = E[k]
  > If E present and lacks .keys() method, does: for (k, v) in E: D[k] = v
  > In either case, this is followed by: for k in F: D[k] = F[k]
  > values(...)
  > D.values() -> list of D’s values
  > viewitems(...)
  > D.viewitems() -> a set-like object providing a view on D’s items
  > viewkeys(...)
  > D.viewkeys() -> a set-like object providing a view on D’s keys
  > viewvalues(...)
  > D.viewvalues() -> an object providing a view on D’s values
  > ———————————————————————-
  > Data and other attributes defined here:
  > __hash__ = None
  > __new__ = <built-in method __new__ of type object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

`psi4.PsiReturnType.``numerator`()

  Python Library Documentation: getset descriptor __builtin__.int.numerator

  numerator

  > the numerator of a rational number in lowest terms

`psi4.PsiReturnType.``real`()

  Python Library Documentation: getset descriptor __builtin__.int.real

  real

  > the real part of a complex number

`psi4.PsiReturnType.``values`()

  Python Library Documentation: dict object

  class dict(object)

  > dict() -> new empty dictionary
  > dict(mapping) -> new dictionary initialized from a mapping object’s
  > (key, value) pairs
  > dict(iterable) -> new dictionary initialized as if via:
  > d = {}
  > for k, v in iterable:
  > d[k] = v
  > dict(**kwargs) -> new dictionary initialized with the name=value pairs
  > in the keyword argument list. For example: dict(one=1, two=2)
  > Methods defined here:
  > __cmp__(...)
  > x.__cmp__(y) <==> cmp(x,y)
  > __contains__(...)
  > D.__contains__(k) -> True if D has a key k, else False
  > __delitem__(...)
  > x.__delitem__(y) <==> del x[y]
  > __eq__(...)
  > x.__eq__(y) <==> x==y
  > __ge__(...)
  > x.__ge__(y) <==> x>=y
  > __getattribute__(...)
  > x.__getattribute__(‘name’) <==> x.name
  > __getitem__(...)
  > x.__getitem__(y) <==> x[y]
  > __gt__(...)
  > x.__gt__(y) <==> x>y
  > __init__(...)
  > x.__init__(...) initializes x; see help(type(x)) for signature
  > __iter__(...)
  > x.__iter__() <==> iter(x)
  > __le__(...)
  > x.__le__(y) <==> x<=y
  > __len__(...)
  > x.__len__() <==> len(x)
  > __lt__(...)
  > x.__lt__(y) <==> x<y
  > __ne__(...)
  > x.__ne__(y) <==> x!=y
  > __repr__(...)
  > x.__repr__() <==> repr(x)
  > __setitem__(...)
  > x.__setitem__(i, y) <==> x[i]=y
  > __sizeof__(...)
  > D.__sizeof__() -> size of D in memory, in bytes
  > clear(...)
  > D.clear() -> None. Remove all items from D.
  > copy(...)
  > D.copy() -> a shallow copy of D
  > fromkeys(...)
  > dict.fromkeys(S[,v]) -> New dict with keys from S and values equal to v.
  > v defaults to None.
  > get(...)
  > D.get(k[,d]) -> D[k] if k in D, else d. d defaults to None.
  > has_key(...)
  > D.has_key(k) -> True if D has a key k, else False
  > items(...)
  > D.items() -> list of D’s (key, value) pairs, as 2-tuples
  > iteritems(...)
  > D.iteritems() -> an iterator over the (key, value) items of D
  > iterkeys(...)
  > D.iterkeys() -> an iterator over the keys of D
  > itervalues(...)
  > D.itervalues() -> an iterator over the values of D
  > keys(...)
  > D.keys() -> list of D’s keys
  > pop(...)
  > D.pop(k[,d]) -> v, remove specified key and return the corresponding value.
  > If key is not found, d is returned if given, otherwise KeyError is raised
  > popitem(...)
  > D.popitem() -> (k, v), remove and return some (key, value) pair as a
  > 2-tuple; but raise KeyError if D is empty.
  > setdefault(...)
  > D.setdefault(k[,d]) -> D.get(k,d), also set D[k]=d if k not in D
  > update(...)
  > D.update([E, ]**F) -> None. Update D from dict/iterable E and F.
  > If E present and has a .keys() method, does: for k in E: D[k] = E[k]
  > If E present and lacks .keys() method, does: for (k, v) in E: D[k] = v
  > In either case, this is followed by: for k in F: D[k] = F[k]
  > values(...)
  > D.values() -> list of D’s values
  > viewitems(...)
  > D.viewitems() -> a set-like object providing a view on D’s items
  > viewkeys(...)
  > D.viewkeys() -> a set-like object providing a view on D’s keys
  > viewvalues(...)
  > D.viewvalues() -> an object providing a view on D’s values
  > ———————————————————————-
  > Data and other attributes defined here:
  > __hash__ = None
  > __new__ = <built-in method __new__ of type object>
  > T.__new__(S, ...) -> a new object with type S, a subtype of T

## Psi_Numpy_Interface

## QuadrupoleInt

`psi4.QuadrupoleInt.``basis`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.QuadrupoleInt.``basis1`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.QuadrupoleInt.``basis2`()

  Python Library Documentation: property

  > The basis set on center two

`psi4.QuadrupoleInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.QuadrupoleInt method

  > compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_shell(psi::OneBodyAOInt {lvalue},int,int)

`psi4.QuadrupoleInt.``origin`()

  Python Library Documentation: property

  > The origin about which the one body ints are being computed.

`psi4.QuadrupoleInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.QuadrupoleInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.QuadrupoleInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.QuadrupoleInt method

  > set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)

## RHF

`psi4.RHF.``Ca`()

  Python Library Documentation: method Ca

  Ca(...) unbound psi4.RHF method

  > Ca( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Ca(psi::Wavefunction {lvalue})

`psi4.RHF.``Ca_subset`()

  Python Library Documentation: method Ca_subset

  Ca_subset(...) unbound psi4.RHF method

  > Ca_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Ca_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.RHF.``Cb`()

  Python Library Documentation: method Cb

  Cb(...) unbound psi4.RHF method

  > Cb( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Cb(psi::Wavefunction {lvalue})

`psi4.RHF.``Cb_subset`()

  Python Library Documentation: method Cb_subset

  Cb_subset(...) unbound psi4.RHF method

  > Cb_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Cb_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.RHF.``Da`()

  Python Library Documentation: method Da

  Da(...) unbound psi4.RHF method

  > Da( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Da(psi::Wavefunction {lvalue})

`psi4.RHF.``Db`()

  Python Library Documentation: method Db

  Db(...) unbound psi4.RHF method

  > Db( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Db(psi::Wavefunction {lvalue})

`psi4.RHF.``Fa`()

  Python Library Documentation: method Fa

  Fa(...) unbound psi4.RHF method

  > Fa( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Fa(psi::Wavefunction {lvalue})

`psi4.RHF.``Fb`()

  Python Library Documentation: method Fb

  Fb(...) unbound psi4.RHF method

  > Fb( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Fb(psi::Wavefunction {lvalue})

`psi4.RHF.``TPDM`()

  Python Library Documentation: method TPDM

  TPDM(...) unbound psi4.RHF method

  > TPDM( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> TPDM(psi::Wavefunction {lvalue})

`psi4.RHF.``X`()

  Python Library Documentation: method X

  X(...) unbound psi4.RHF method

  > X( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> X(psi::Wavefunction {lvalue})

`psi4.RHF.``add_postiteration_callback`()

  Python Library Documentation: method add_postiteration_callback

  add_postiteration_callback(...) unbound psi4.RHF method

  > add_postiteration_callback( (Wavefunction)arg1, (object)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void add_postiteration_callback(psi::Wavefunction {lvalue},_object*)

`psi4.RHF.``add_preiteration_callback`()

  Python Library Documentation: method add_preiteration_callback

  add_preiteration_callback(...) unbound psi4.RHF method

  > add_preiteration_callback( (Wavefunction)arg1, (object)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void add_preiteration_callback(psi::Wavefunction {lvalue},_object*)

`psi4.RHF.``alpha_orbital_space`()

  Python Library Documentation: method alpha_orbital_space

  alpha_orbital_space(...) unbound psi4.RHF method

  > alpha_orbital_space( (Wavefunction)arg1, (str)arg2, (str)arg3, (str)arg4) -> OrbitalSpace :

  > > docstring

  > > C++ signature :

  > > > psi::OrbitalSpace alpha_orbital_space(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.RHF.``aotoso`()

  Python Library Documentation: method aotoso

  aotoso(...) unbound psi4.RHF method

  > aotoso( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> aotoso(psi::Wavefunction {lvalue})

`psi4.RHF.``atomic_point_charges`()

  Python Library Documentation: method atomic_point_charges

  atomic_point_charges(...) unbound psi4.RHF method

  > atomic_point_charges( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> atomic_point_charges(psi::Wavefunction {lvalue})

`psi4.RHF.``basisset`()

  Python Library Documentation: method basisset

  basisset(...) unbound psi4.RHF method

  > basisset( (Wavefunction)arg1) -> BasisSet :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::BasisSet> basisset(psi::Wavefunction {lvalue})

`psi4.RHF.``beta_orbital_space`()

  Python Library Documentation: method beta_orbital_space

  beta_orbital_space(...) unbound psi4.RHF method

  > beta_orbital_space( (Wavefunction)arg1, (str)arg2, (str)arg3, (str)arg4) -> OrbitalSpace :

  > > docstring

  > > C++ signature :

  > > > psi::OrbitalSpace beta_orbital_space(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.RHF.``doccpi`()

  Python Library Documentation: method doccpi

  doccpi(...) unbound psi4.RHF method

  > doccpi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension doccpi(psi::Wavefunction {lvalue})

`psi4.RHF.``energy`()

  Python Library Documentation: method energy

  energy(...) unbound psi4.RHF method

  > energy( (Wavefunction)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double energy(psi::Wavefunction {lvalue})

`psi4.RHF.``epsilon_a`()

  Python Library Documentation: method epsilon_a

  epsilon_a(...) unbound psi4.RHF method

  > epsilon_a( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> epsilon_a(psi::Wavefunction {lvalue})

`psi4.RHF.``epsilon_a_subset`()

  Python Library Documentation: method epsilon_a_subset

  epsilon_a_subset(...) unbound psi4.RHF method

  > epsilon_a_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> epsilon_a_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.RHF.``epsilon_b`()

  Python Library Documentation: method epsilon_b

  epsilon_b(...) unbound psi4.RHF method

  > epsilon_b( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> epsilon_b(psi::Wavefunction {lvalue})

`psi4.RHF.``epsilon_b_subset`()

  Python Library Documentation: method epsilon_b_subset

  epsilon_b_subset(...) unbound psi4.RHF method

  > epsilon_b_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> epsilon_b_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.RHF.``frequencies`()

  Python Library Documentation: method frequencies

  frequencies(...) unbound psi4.RHF method

  > frequencies( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> frequencies(psi::Wavefunction {lvalue})

`psi4.RHF.``frzcpi`()

  Python Library Documentation: method frzcpi

  frzcpi(...) unbound psi4.RHF method

  > frzcpi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension frzcpi(psi::Wavefunction {lvalue})

`psi4.RHF.``frzvpi`()

  Python Library Documentation: method frzvpi

  frzvpi(...) unbound psi4.RHF method

  > frzvpi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension frzvpi(psi::Wavefunction {lvalue})

`psi4.RHF.``gradient`()

  Python Library Documentation: method gradient

  gradient(...) unbound psi4.RHF method

  > gradient( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> gradient(psi::Wavefunction {lvalue})

`psi4.RHF.``molecule`()

  Python Library Documentation: method molecule

  molecule(...) unbound psi4.RHF method

  > molecule( (Wavefunction)arg1) -> Molecule :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Molecule> molecule(psi::Wavefunction {lvalue})

`psi4.RHF.``nalpha`()

  Python Library Documentation: method nalpha

  nalpha(...) unbound psi4.RHF method

  > nalpha( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nalpha(psi::Wavefunction {lvalue})

  > nalpha( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nalpha(psi::Wavefunction {lvalue})

`psi4.RHF.``nalphapi`()

  Python Library Documentation: method nalphapi

  nalphapi(...) unbound psi4.RHF method

  > nalphapi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension nalphapi(psi::Wavefunction {lvalue})

`psi4.RHF.``nbeta`()

  Python Library Documentation: method nbeta

  nbeta(...) unbound psi4.RHF method

  > nbeta( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nbeta(psi::Wavefunction {lvalue})

  > nbeta( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nbeta(psi::Wavefunction {lvalue})

`psi4.RHF.``nbetapi`()

  Python Library Documentation: method nbetapi

  nbetapi(...) unbound psi4.RHF method

  > nbetapi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension nbetapi(psi::Wavefunction {lvalue})

`psi4.RHF.``nfrzc`()

  Python Library Documentation: method nfrzc

  nfrzc(...) unbound psi4.RHF method

  > nfrzc( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nfrzc(psi::Wavefunction {lvalue})

`psi4.RHF.``nirrep`()

  Python Library Documentation: method nirrep

  nirrep(...) unbound psi4.RHF method

  > nirrep( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nirrep(psi::Wavefunction {lvalue})

`psi4.RHF.``nmo`()

  Python Library Documentation: method nmo

  nmo(...) unbound psi4.RHF method

  > nmo( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nmo(psi::Wavefunction {lvalue})

`psi4.RHF.``nmopi`()

  Python Library Documentation: method nmopi

  nmopi(...) unbound psi4.RHF method

  > nmopi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension nmopi(psi::Wavefunction {lvalue})

`psi4.RHF.``normalmodes`()

  Python Library Documentation: method normalmodes

  normalmodes(...) unbound psi4.RHF method

  > normalmodes( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> normalmodes(psi::Wavefunction {lvalue})

`psi4.RHF.``nso`()

  Python Library Documentation: method nso

  nso(...) unbound psi4.RHF method

  > nso( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nso(psi::Wavefunction {lvalue})

`psi4.RHF.``nsopi`()

  Python Library Documentation: method nsopi

  nsopi(...) unbound psi4.RHF method

  > nsopi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension nsopi(psi::Wavefunction {lvalue})

`psi4.RHF.``sobasisset`()

  Python Library Documentation: method sobasisset

  sobasisset(...) unbound psi4.RHF method

  > sobasisset( (Wavefunction)arg1) -> SOBasisSet :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::SOBasisSet> sobasisset(psi::Wavefunction {lvalue})

`psi4.RHF.``soccpi`()

  Python Library Documentation: method soccpi

  soccpi(...) unbound psi4.RHF method

  > soccpi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension soccpi(psi::Wavefunction {lvalue})

## SOBasisSet

`psi4.SOBasisSet.``petite_list`()

  Python Library Documentation: method petite_list

  petite_list(...) unbound psi4.SOBasisSet method

  > petite_list( (SOBasisSet)arg1) -> PetiteList :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::PetiteList> petite_list(psi::SOBasisSet {lvalue})

## SuperFunctional

`psi4.SuperFunctional.``add_c_functional`()

  Python Library Documentation: method add_c_functional

  add_c_functional(...) unbound psi4.SuperFunctional method

  > add_c_functional( (SuperFunctional)arg1, (Functional)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void add_c_functional(psi::SuperFunctional {lvalue},boost::shared_ptr<psi::Functional>)

`psi4.SuperFunctional.``add_x_functional`()

  Python Library Documentation: method add_x_functional

  add_x_functional(...) unbound psi4.SuperFunctional method

  > add_x_functional( (SuperFunctional)arg1, (Functional)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void add_x_functional(psi::SuperFunctional {lvalue},boost::shared_ptr<psi::Functional>)

`psi4.SuperFunctional.``allocate`()

  Python Library Documentation: method allocate

  allocate(...) unbound psi4.SuperFunctional method

  > allocate( (SuperFunctional)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void allocate(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``ansatz`()

  Python Library Documentation: method ansatz

  ansatz(...) unbound psi4.SuperFunctional method

  > ansatz( (SuperFunctional)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int ansatz(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``blank`()

  Python Library Documentation: built-in function blank

  blank(...)

  > blank() -> SuperFunctional :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::SuperFunctional> blank()

`psi4.SuperFunctional.``build`()

  Python Library Documentation: built-in function build

  build(...)

  > build( (str)arg1, (int)arg2, (int)arg3) -> SuperFunctional :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::SuperFunctional> build(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,int,int)

`psi4.SuperFunctional.``c_alpha`()

  Python Library Documentation: method c_alpha

  c_alpha(...) unbound psi4.SuperFunctional method

  > c_alpha( (SuperFunctional)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double c_alpha(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``c_functional`()

  Python Library Documentation: method c_functional

  c_functional(...) unbound psi4.SuperFunctional method

  > c_functional( (SuperFunctional)arg1, (str)arg2) -> Functional :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Functional> c_functional(psi::SuperFunctional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.SuperFunctional.``c_omega`()

  Python Library Documentation: method c_omega

  c_omega(...) unbound psi4.SuperFunctional method

  > c_omega( (SuperFunctional)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double c_omega(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``c_os_alpha`()

  Python Library Documentation: method c_os_alpha

  c_os_alpha(...) unbound psi4.SuperFunctional method

  > c_os_alpha( (SuperFunctional)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double c_os_alpha(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``c_ss_alpha`()

  Python Library Documentation: method c_ss_alpha

  c_ss_alpha(...) unbound psi4.SuperFunctional method

  > c_ss_alpha( (SuperFunctional)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double c_ss_alpha(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``citation`()

  Python Library Documentation: method citation

  citation(...) unbound psi4.SuperFunctional method

  > citation( (SuperFunctional)arg1) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > citation(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``deriv`()

  Python Library Documentation: method deriv

  deriv(...) unbound psi4.SuperFunctional method

  > deriv( (SuperFunctional)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int deriv(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``description`()

  Python Library Documentation: method description

  description(...) unbound psi4.SuperFunctional method

  > description( (SuperFunctional)arg1) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > description(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``dispersion`()

  Python Library Documentation: method dispersion

  dispersion(...) unbound psi4.SuperFunctional method

  > dispersion( (SuperFunctional)arg1) -> Dispersion :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Dispersion> dispersion(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``is_c_hybrid`()

  Python Library Documentation: method is_c_hybrid

  is_c_hybrid(...) unbound psi4.SuperFunctional method

  > is_c_hybrid( (SuperFunctional)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_c_hybrid(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``is_c_lrc`()

  Python Library Documentation: method is_c_lrc

  is_c_lrc(...) unbound psi4.SuperFunctional method

  > is_c_lrc( (SuperFunctional)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_c_lrc(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``is_c_scs_hybrid`()

  Python Library Documentation: method is_c_scs_hybrid

  is_c_scs_hybrid(...) unbound psi4.SuperFunctional method

  > is_c_scs_hybrid( (SuperFunctional)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_c_scs_hybrid(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``is_gga`()

  Python Library Documentation: method is_gga

  is_gga(...) unbound psi4.SuperFunctional method

  > is_gga( (SuperFunctional)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_gga(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``is_meta`()

  Python Library Documentation: method is_meta

  is_meta(...) unbound psi4.SuperFunctional method

  > is_meta( (SuperFunctional)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_meta(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``is_x_hybrid`()

  Python Library Documentation: method is_x_hybrid

  is_x_hybrid(...) unbound psi4.SuperFunctional method

  > is_x_hybrid( (SuperFunctional)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_x_hybrid(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``is_x_lrc`()

  Python Library Documentation: method is_x_lrc

  is_x_lrc(...) unbound psi4.SuperFunctional method

  > is_x_lrc( (SuperFunctional)arg1) -> bool :

  > > docstring

  > > C++ signature :

  > > > bool is_x_lrc(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``max_points`()

  Python Library Documentation: method max_points

  max_points(...) unbound psi4.SuperFunctional method

  > max_points( (SuperFunctional)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int max_points(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``name`()

  Python Library Documentation: method name

  name(...) unbound psi4.SuperFunctional method

  > name( (SuperFunctional)arg1) -> str :

  > > docstring

  > > C++ signature :

  > > > std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > name(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``print_detail`()

  Python Library Documentation: method print_detail

  print_detail(...) unbound psi4.SuperFunctional method

  > print_detail( (SuperFunctional)arg1, (int)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_detail(psi::SuperFunctional {lvalue},int)

`psi4.SuperFunctional.``print_out`()

  Python Library Documentation: method print_out

  print_out(...) unbound psi4.SuperFunctional method

  > print_out( (SuperFunctional)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_out(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``set_c_alpha`()

  Python Library Documentation: method set_c_alpha

  set_c_alpha(...) unbound psi4.SuperFunctional method

  > set_c_alpha( (SuperFunctional)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_c_alpha(psi::SuperFunctional {lvalue},double)

`psi4.SuperFunctional.``set_c_omega`()

  Python Library Documentation: method set_c_omega

  set_c_omega(...) unbound psi4.SuperFunctional method

  > set_c_omega( (SuperFunctional)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_c_omega(psi::SuperFunctional {lvalue},double)

`psi4.SuperFunctional.``set_c_os_alpha`()

  Python Library Documentation: method set_c_os_alpha

  set_c_os_alpha(...) unbound psi4.SuperFunctional method

  > set_c_os_alpha( (SuperFunctional)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_c_os_alpha(psi::SuperFunctional {lvalue},double)

`psi4.SuperFunctional.``set_c_ss_alpha`()

  Python Library Documentation: method set_c_ss_alpha

  set_c_ss_alpha(...) unbound psi4.SuperFunctional method

  > set_c_ss_alpha( (SuperFunctional)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_c_ss_alpha(psi::SuperFunctional {lvalue},double)

`psi4.SuperFunctional.``set_citation`()

  Python Library Documentation: method set_citation

  set_citation(...) unbound psi4.SuperFunctional method

  > set_citation( (SuperFunctional)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_citation(psi::SuperFunctional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.SuperFunctional.``set_deriv`()

  Python Library Documentation: method set_deriv

  set_deriv(...) unbound psi4.SuperFunctional method

  > set_deriv( (SuperFunctional)arg1, (int)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_deriv(psi::SuperFunctional {lvalue},int)

`psi4.SuperFunctional.``set_description`()

  Python Library Documentation: method set_description

  set_description(...) unbound psi4.SuperFunctional method

  > set_description( (SuperFunctional)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_description(psi::SuperFunctional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.SuperFunctional.``set_dispersion`()

  Python Library Documentation: method set_dispersion

  set_dispersion(...) unbound psi4.SuperFunctional method

  > set_dispersion( (SuperFunctional)arg1, (Dispersion)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_dispersion(psi::SuperFunctional {lvalue},boost::shared_ptr<psi::Dispersion>)

`psi4.SuperFunctional.``set_max_points`()

  Python Library Documentation: method set_max_points

  set_max_points(...) unbound psi4.SuperFunctional method

  > set_max_points( (SuperFunctional)arg1, (int)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_max_points(psi::SuperFunctional {lvalue},int)

`psi4.SuperFunctional.``set_name`()

  Python Library Documentation: method set_name

  set_name(...) unbound psi4.SuperFunctional method

  > set_name( (SuperFunctional)arg1, (str)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_name(psi::SuperFunctional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.SuperFunctional.``set_x_alpha`()

  Python Library Documentation: method set_x_alpha

  set_x_alpha(...) unbound psi4.SuperFunctional method

  > set_x_alpha( (SuperFunctional)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_x_alpha(psi::SuperFunctional {lvalue},double)

`psi4.SuperFunctional.``set_x_omega`()

  Python Library Documentation: method set_x_omega

  set_x_omega(...) unbound psi4.SuperFunctional method

  > set_x_omega( (SuperFunctional)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_x_omega(psi::SuperFunctional {lvalue},double)

`psi4.SuperFunctional.``test_functional`()

  Python Library Documentation: method test_functional

  test_functional(...) unbound psi4.SuperFunctional method

  > test_functional( (SuperFunctional)arg1, (Vector)arg2, (Vector)arg3, (Vector)arg4, (Vector)arg5, (Vector)arg6, (Vector)arg7, (Vector)arg8) -> None :

  > > docstring

  > > C++ signature :

  > > > void test_functional(psi::SuperFunctional {lvalue},boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>)

`psi4.SuperFunctional.``value`()

  Python Library Documentation: method value

  value(...) unbound psi4.SuperFunctional method

  > value( (SuperFunctional)arg1, (str)arg2) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> value(psi::SuperFunctional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.SuperFunctional.``x_alpha`()

  Python Library Documentation: method x_alpha

  x_alpha(...) unbound psi4.SuperFunctional method

  > x_alpha( (SuperFunctional)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double x_alpha(psi::SuperFunctional {lvalue})

`psi4.SuperFunctional.``x_functional`()

  Python Library Documentation: method x_functional

  x_functional(...) unbound psi4.SuperFunctional method

  > x_functional( (SuperFunctional)arg1, (str)arg2) -> Functional :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Functional> x_functional(psi::SuperFunctional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.SuperFunctional.``x_omega`()

  Python Library Documentation: method x_omega

  x_omega(...) unbound psi4.SuperFunctional method

  > x_omega( (SuperFunctional)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double x_omega(psi::SuperFunctional {lvalue})

## SymmetryOperation

`psi4.SymmetryOperation.``E`()

  Python Library Documentation: method E

  E(...) unbound psi4.SymmetryOperation method

  > E( (SymmetryOperation)arg1) -> None :

  > > Set equal to E

  > > C++ signature :

  > > > void E(psi::SymmetryOperation {lvalue})

`psi4.SymmetryOperation.``c2_x`()

  Python Library Documentation: method c2_x

  c2_x(...) unbound psi4.SymmetryOperation method

  > c2_x( (SymmetryOperation)arg1) -> None :

  > > Set equal to C2 about the x axis

  > > C++ signature :

  > > > void c2_x(psi::SymmetryOperation {lvalue})

`psi4.SymmetryOperation.``c2_y`()

  Python Library Documentation: method c2_y

  c2_y(...) unbound psi4.SymmetryOperation method

  > c2_y( (SymmetryOperation)arg1) -> None :

  > > Set equal to C2 about the y axis

  > > C++ signature :

  > > > void c2_y(psi::SymmetryOperation {lvalue})

`psi4.SymmetryOperation.``c2_z`()

  Python Library Documentation: method c2_z

  c2_z(...) unbound psi4.SymmetryOperation method

  > c2_z( (SymmetryOperation)arg1) -> None :

  > > Set equal to C2 about the z axis

  > > C++ signature :

  > > > void c2_z(psi::SymmetryOperation {lvalue})

`psi4.SymmetryOperation.``i`()

  Python Library Documentation: method i

  i(...) unbound psi4.SymmetryOperation method

  > i( (SymmetryOperation)arg1) -> None :

  > > Set equal to an inversion

  > > C++ signature :

  > > > void i(psi::SymmetryOperation {lvalue})

`psi4.SymmetryOperation.``operate`()

  Python Library Documentation: method operate

  operate(...) unbound psi4.SymmetryOperation method

  > operate( (SymmetryOperation)arg1, (SymmetryOperation)arg2) -> SymmetryOperation :

  > > Performs the operation arg2 * arg1

  > > C++ signature :

  > > > psi::SymmetryOperation operate(psi::SymmetryOperation {lvalue},psi::SymmetryOperation)

`psi4.SymmetryOperation.``rotate_n`()

  Python Library Documentation: method rotate_n

  rotate_n(...) unbound psi4.SymmetryOperation method

  > rotate_n( (SymmetryOperation)arg1, (int)arg2) -> None :

  > > Set equal to a clockwise rotation by 2pi/n

  > > C++ signature :

  > > > void rotate_n(psi::SymmetryOperation {lvalue},int)

`psi4.SymmetryOperation.``rotate_theta`()

  Python Library Documentation: method rotate_theta

  rotate_theta(...) unbound psi4.SymmetryOperation method

  > rotate_theta( (SymmetryOperation)arg1, (float)arg2) -> None :

  > > Set equal to a clockwise rotation by theta

  > > C++ signature :

  > > > void rotate_theta(psi::SymmetryOperation {lvalue},double)

`psi4.SymmetryOperation.``sigma_xy`()

  Python Library Documentation: method sigma_xy

  sigma_xy(...) unbound psi4.SymmetryOperation method

  > sigma_xy( (SymmetryOperation)arg1) -> None :

  > > Set equal to reflection in xy plane

  > > C++ signature :

  > > > void sigma_xy(psi::SymmetryOperation {lvalue})

`psi4.SymmetryOperation.``sigma_xz`()

  Python Library Documentation: method sigma_xz

  sigma_xz(...) unbound psi4.SymmetryOperation method

  > sigma_xz( (SymmetryOperation)arg1) -> None :

  > > Set equal to reflection in xz plane

  > > C++ signature :

  > > > void sigma_xz(psi::SymmetryOperation {lvalue})

`psi4.SymmetryOperation.``sigma_yz`()

  Python Library Documentation: method sigma_yz

  sigma_yz(...) unbound psi4.SymmetryOperation method

  > sigma_yz( (SymmetryOperation)arg1) -> None :

  > > Set equal to reflection in yz plane

  > > C++ signature :

  > > > void sigma_yz(psi::SymmetryOperation {lvalue})

`psi4.SymmetryOperation.``trace`()

  Python Library Documentation: method trace

  trace(...) unbound psi4.SymmetryOperation method

  > trace( (SymmetryOperation)arg1) -> float :

  > > Returns trace of transformation matrix

  > > C++ signature :

  > > > double trace(psi::SymmetryOperation {lvalue})

`psi4.SymmetryOperation.``transform`()

  Python Library Documentation: method transform

  transform(...) unbound psi4.SymmetryOperation method

  > transform( (SymmetryOperation)arg1, (SymmetryOperation)arg2) -> SymmetryOperation :

  > > Performs the transform arg2 * arg1 * arg2~

  > > C++ signature :

  > > > psi::SymmetryOperation transform(psi::SymmetryOperation {lvalue},psi::SymmetryOperation)

`psi4.SymmetryOperation.``transpose`()

  Python Library Documentation: method transpose

  transpose(...) unbound psi4.SymmetryOperation method

  > transpose( (SymmetryOperation)arg1) -> None :

  > > Performs transposition of matrix operation

  > > C++ signature :

  > > > void transpose(psi::SymmetryOperation {lvalue})

`psi4.SymmetryOperation.``unit`()

  Python Library Documentation: method unit

  unit(...) unbound psi4.SymmetryOperation method

  > unit( (SymmetryOperation)arg1) -> None :

  > > Set equal to a unit matrix

  > > C++ signature :

  > > > void unit(psi::SymmetryOperation {lvalue})

`psi4.SymmetryOperation.``zero`()

  Python Library Documentation: method zero

  zero(...) unbound psi4.SymmetryOperation method

  > zero( (SymmetryOperation)arg1) -> None :

  > > Zero out the symmetry operation

  > > C++ signature :

  > > > void zero(psi::SymmetryOperation {lvalue})

## ThreeCenterOverlapInt

`psi4.ThreeCenterOverlapInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.ThreeCenterOverlapInt method

  > compute_shell( (ThreeCenterOverlapInt)arg1, (int)arg2, (int)arg3, (int)arg4) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_shell(psi::ThreeCenterOverlapInt {lvalue},int,int,int)

`psi4.ThreeCenterOverlapInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.ThreeCenterOverlapInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.ThreeCenterOverlapInt method

  > set_enable_pybuffer( (ThreeCenterOverlapInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::ThreeCenterOverlapInt {lvalue},bool)

## TracelessQuadrupoleInt

`psi4.TracelessQuadrupoleInt.``basis`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.TracelessQuadrupoleInt.``basis1`()

  Python Library Documentation: property

  > The basis set on center one

`psi4.TracelessQuadrupoleInt.``basis2`()

  Python Library Documentation: property

  > The basis set on center two

`psi4.TracelessQuadrupoleInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.TracelessQuadrupoleInt method

  > compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void compute_shell(psi::OneBodyAOInt {lvalue},int,int)

`psi4.TracelessQuadrupoleInt.``origin`()

  Python Library Documentation: property

  > The origin about which the one body ints are being computed.

`psi4.TracelessQuadrupoleInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.TracelessQuadrupoleInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.TracelessQuadrupoleInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.TracelessQuadrupoleInt method

  > set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)

## TwoBodyAOInt

`psi4.TwoBodyAOInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.TwoBodyAOInt method

  > compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :

  > > docstring

  > > C++ signature :

  > > > unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)

`psi4.TwoBodyAOInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.TwoBodyAOInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.TwoBodyAOInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.TwoBodyAOInt method

  > set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)

## TwoElectronInt

`psi4.TwoElectronInt.``compute_shell`()

  Python Library Documentation: method compute_shell

  compute_shell(...) unbound psi4.TwoElectronInt method

  > compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :

  > > docstring

  > > C++ signature :

  > > > unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)

`psi4.TwoElectronInt.``py_buffer`()

  Python Library Documentation: property

  > docstring

`psi4.TwoElectronInt.``py_buffer_object`()

  Python Library Documentation: property

  > docstring

`psi4.TwoElectronInt.``set_enable_pybuffer`()

  Python Library Documentation: method set_enable_pybuffer

  set_enable_pybuffer(...) unbound psi4.TwoElectronInt method

  > set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)

## Vector

`psi4.Vector.``array_interfaces`()

  Python Library Documentation: method array_interfaces

  array_interfaces(...) unbound psi4.Vector method

  > array_interfaces( (Vector)arg1) -> list :

  > > docstring

  > > C++ signature :

  > > > boost::python::list array_interfaces(boost::shared_ptr<psi::Vector>)

`psi4.Vector.``dim`()

  Python Library Documentation: method dim

  dim(...) unbound psi4.Vector method

  > dim( (Vector)arg1, (int)arg2) -> int :

  > > docstring

  > > C++ signature :

  > > > int dim(psi::Vector {lvalue},int)

`psi4.Vector.``get`()

  Python Library Documentation: method get

  get(...) unbound psi4.Vector method

  > get( (Vector)arg1, (int)arg2) -> float :

  > > docstring

  > > C++ signature :

  > > > double get(psi::Vector {lvalue},int)

  > get( (Vector)arg1, (int)arg2, (int)arg3) -> float :

  > > docstring

  > > C++ signature :

  > > > double get(psi::Vector {lvalue},int,int)

`psi4.Vector.``nirrep`()

  Python Library Documentation: method nirrep

  nirrep(...) unbound psi4.Vector method

  > nirrep( (Vector)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nirrep(psi::Vector {lvalue})

`psi4.Vector.``print_out`()

  Python Library Documentation: method print_out

  print_out(...) unbound psi4.Vector method

  > print_out( (Vector)arg1) -> None :

  > > docstring

  > > C++ signature :

  > > > void print_out(psi::Vector {lvalue})

`psi4.Vector.``scale`()

  Python Library Documentation: method scale

  scale(...) unbound psi4.Vector method

  > scale( (Vector)arg1, (float)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void scale(psi::Vector {lvalue},double)

`psi4.Vector.``set`()

  Python Library Documentation: method set

  set(...) unbound psi4.Vector method

  > set( (Vector)arg1, (int)arg2, (float)arg3) -> None :

  > > docstring

  > > C++ signature :

  > > > void set(psi::Vector {lvalue},int,double)

  > set( (Vector)arg1, (int)arg2, (int)arg3, (float)arg4) -> None :

  > > docstring

  > > C++ signature :

  > > > void set(psi::Vector {lvalue},int,int,double)

## Vector3

`psi4.Vector3.``cross`()

  Python Library Documentation: method cross

  cross(...) unbound psi4.Vector3 method

  > cross( (Vector3)arg1, (Vector3)arg2) -> Vector3 :

  > > Returns cross product of arg1 and arg2

  > > C++ signature :

  > > > psi::Vector3 cross(psi::Vector3 {lvalue},psi::Vector3)

`psi4.Vector3.``distance`()

  Python Library Documentation: method distance

  distance(...) unbound psi4.Vector3 method

  > distance( (Vector3)arg1, (Vector3)arg2) -> float :

  > > Returns distance between two points represented by arg1 and arg2

  > > C++ signature :

  > > > double distance(psi::Vector3 {lvalue},psi::Vector3)

`psi4.Vector3.``dot`()

  Python Library Documentation: method dot

  dot(...) unbound psi4.Vector3 method

  > dot( (Vector3)arg1, (Vector3)arg2) -> float :

  > > Returns dot product of arg1 and arg2

  > > C++ signature :

  > > > double dot(psi::Vector3 {lvalue},psi::Vector3)

`psi4.Vector3.``norm`()

  Python Library Documentation: method norm

  norm(...) unbound psi4.Vector3 method

  > norm( (Vector3)arg1) -> float :

  > > Returns Euclidean norm of arg1

  > > C++ signature :

  > > > double norm(psi::Vector3 {lvalue})

`psi4.Vector3.``normalize`()

  Python Library Documentation: method normalize

  normalize(...) unbound psi4.Vector3 method

  > normalize( (Vector3)arg1) -> None :

  > > Returns vector of unit length and arg1 direction

  > > C++ signature :

  > > > void normalize(psi::Vector3 {lvalue})

## View

## Wavefunction

`psi4.Wavefunction.``Ca`()

  Python Library Documentation: method Ca

  Ca(...) unbound psi4.Wavefunction method

  > Ca( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Ca(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``Ca_subset`()

  Python Library Documentation: method Ca_subset

  Ca_subset(...) unbound psi4.Wavefunction method

  > Ca_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Ca_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Wavefunction.``Cb`()

  Python Library Documentation: method Cb

  Cb(...) unbound psi4.Wavefunction method

  > Cb( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Cb(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``Cb_subset`()

  Python Library Documentation: method Cb_subset

  Cb_subset(...) unbound psi4.Wavefunction method

  > Cb_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Cb_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Wavefunction.``Da`()

  Python Library Documentation: method Da

  Da(...) unbound psi4.Wavefunction method

  > Da( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Da(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``Db`()

  Python Library Documentation: method Db

  Db(...) unbound psi4.Wavefunction method

  > Db( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Db(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``Fa`()

  Python Library Documentation: method Fa

  Fa(...) unbound psi4.Wavefunction method

  > Fa( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Fa(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``Fb`()

  Python Library Documentation: method Fb

  Fb(...) unbound psi4.Wavefunction method

  > Fb( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> Fb(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``TPDM`()

  Python Library Documentation: method TPDM

  TPDM(...) unbound psi4.Wavefunction method

  > TPDM( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> TPDM(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``X`()

  Python Library Documentation: method X

  X(...) unbound psi4.Wavefunction method

  > X( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> X(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``add_postiteration_callback`()

  Python Library Documentation: method add_postiteration_callback

  add_postiteration_callback(...) unbound psi4.Wavefunction method

  > add_postiteration_callback( (Wavefunction)arg1, (object)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void add_postiteration_callback(psi::Wavefunction {lvalue},_object*)

`psi4.Wavefunction.``add_preiteration_callback`()

  Python Library Documentation: method add_preiteration_callback

  add_preiteration_callback(...) unbound psi4.Wavefunction method

  > add_preiteration_callback( (Wavefunction)arg1, (object)arg2) -> None :

  > > docstring

  > > C++ signature :

  > > > void add_preiteration_callback(psi::Wavefunction {lvalue},_object*)

`psi4.Wavefunction.``alpha_orbital_space`()

  Python Library Documentation: method alpha_orbital_space

  alpha_orbital_space(...) unbound psi4.Wavefunction method

  > alpha_orbital_space( (Wavefunction)arg1, (str)arg2, (str)arg3, (str)arg4) -> OrbitalSpace :

  > > docstring

  > > C++ signature :

  > > > psi::OrbitalSpace alpha_orbital_space(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Wavefunction.``aotoso`()

  Python Library Documentation: method aotoso

  aotoso(...) unbound psi4.Wavefunction method

  > aotoso( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> aotoso(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``atomic_point_charges`()

  Python Library Documentation: method atomic_point_charges

  atomic_point_charges(...) unbound psi4.Wavefunction method

  > atomic_point_charges( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> atomic_point_charges(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``basisset`()

  Python Library Documentation: method basisset

  basisset(...) unbound psi4.Wavefunction method

  > basisset( (Wavefunction)arg1) -> BasisSet :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::BasisSet> basisset(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``beta_orbital_space`()

  Python Library Documentation: method beta_orbital_space

  beta_orbital_space(...) unbound psi4.Wavefunction method

  > beta_orbital_space( (Wavefunction)arg1, (str)arg2, (str)arg3, (str)arg4) -> OrbitalSpace :

  > > docstring

  > > C++ signature :

  > > > psi::OrbitalSpace beta_orbital_space(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Wavefunction.``doccpi`()

  Python Library Documentation: method doccpi

  doccpi(...) unbound psi4.Wavefunction method

  > doccpi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension doccpi(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``energy`()

  Python Library Documentation: method energy

  energy(...) unbound psi4.Wavefunction method

  > energy( (Wavefunction)arg1) -> float :

  > > docstring

  > > C++ signature :

  > > > double energy(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``epsilon_a`()

  Python Library Documentation: method epsilon_a

  epsilon_a(...) unbound psi4.Wavefunction method

  > epsilon_a( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> epsilon_a(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``epsilon_a_subset`()

  Python Library Documentation: method epsilon_a_subset

  epsilon_a_subset(...) unbound psi4.Wavefunction method

  > epsilon_a_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> epsilon_a_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Wavefunction.``epsilon_b`()

  Python Library Documentation: method epsilon_b

  epsilon_b(...) unbound psi4.Wavefunction method

  > epsilon_b( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> epsilon_b(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``epsilon_b_subset`()

  Python Library Documentation: method epsilon_b_subset

  epsilon_b_subset(...) unbound psi4.Wavefunction method

  > epsilon_b_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> epsilon_b_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

`psi4.Wavefunction.``frequencies`()

  Python Library Documentation: method frequencies

  frequencies(...) unbound psi4.Wavefunction method

  > frequencies( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> frequencies(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``frzcpi`()

  Python Library Documentation: method frzcpi

  frzcpi(...) unbound psi4.Wavefunction method

  > frzcpi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension frzcpi(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``frzvpi`()

  Python Library Documentation: method frzvpi

  frzvpi(...) unbound psi4.Wavefunction method

  > frzvpi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension frzvpi(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``gradient`()

  Python Library Documentation: method gradient

  gradient(...) unbound psi4.Wavefunction method

  > gradient( (Wavefunction)arg1) -> Matrix :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Matrix> gradient(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``molecule`()

  Python Library Documentation: method molecule

  molecule(...) unbound psi4.Wavefunction method

  > molecule( (Wavefunction)arg1) -> Molecule :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Molecule> molecule(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``nalpha`()

  Python Library Documentation: method nalpha

  nalpha(...) unbound psi4.Wavefunction method

  > nalpha( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nalpha(psi::Wavefunction {lvalue})

  > nalpha( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nalpha(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``nalphapi`()

  Python Library Documentation: method nalphapi

  nalphapi(...) unbound psi4.Wavefunction method

  > nalphapi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension nalphapi(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``nbeta`()

  Python Library Documentation: method nbeta

  nbeta(...) unbound psi4.Wavefunction method

  > nbeta( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nbeta(psi::Wavefunction {lvalue})

  > nbeta( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nbeta(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``nbetapi`()

  Python Library Documentation: method nbetapi

  nbetapi(...) unbound psi4.Wavefunction method

  > nbetapi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension nbetapi(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``nfrzc`()

  Python Library Documentation: method nfrzc

  nfrzc(...) unbound psi4.Wavefunction method

  > nfrzc( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nfrzc(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``nirrep`()

  Python Library Documentation: method nirrep

  nirrep(...) unbound psi4.Wavefunction method

  > nirrep( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nirrep(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``nmo`()

  Python Library Documentation: method nmo

  nmo(...) unbound psi4.Wavefunction method

  > nmo( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nmo(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``nmopi`()

  Python Library Documentation: method nmopi

  nmopi(...) unbound psi4.Wavefunction method

  > nmopi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension nmopi(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``normalmodes`()

  Python Library Documentation: method normalmodes

  normalmodes(...) unbound psi4.Wavefunction method

  > normalmodes( (Wavefunction)arg1) -> Vector :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::Vector> normalmodes(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``nso`()

  Python Library Documentation: method nso

  nso(...) unbound psi4.Wavefunction method

  > nso( (Wavefunction)arg1) -> int :

  > > docstring

  > > C++ signature :

  > > > int nso(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``nsopi`()

  Python Library Documentation: method nsopi

  nsopi(...) unbound psi4.Wavefunction method

  > nsopi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension nsopi(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``sobasisset`()

  Python Library Documentation: method sobasisset

  sobasisset(...) unbound psi4.Wavefunction method

  > sobasisset( (Wavefunction)arg1) -> SOBasisSet :

  > > docstring

  > > C++ signature :

  > > > boost::shared_ptr<psi::SOBasisSet> sobasisset(psi::Wavefunction {lvalue})

`psi4.Wavefunction.``soccpi`()

  Python Library Documentation: method soccpi

  soccpi(...) unbound psi4.Wavefunction method

  > soccpi( (Wavefunction)arg1) -> Dimension :

  > > docstring

  > > C++ signature :

  > > > psi::Dimension soccpi(psi::Wavefunction {lvalue})

## matrix_vector

`psi4.matrix_vector.``append`()

  Python Library Documentation: method append

  append(...) unbound psi4.matrix_vector method

  > append( (matrix_vector)arg1, (object)arg2) -> None :

  > > C++ signature :

  > > > void append(std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > {lvalue},boost::python::api::object)

`psi4.matrix_vector.``extend`()

  Python Library Documentation: method extend

  extend(...) unbound psi4.matrix_vector method

  > extend( (matrix_vector)arg1, (object)arg2) -> None :

  > > C++ signature :

  > > > void extend(std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > {lvalue},boost::python::api::object)

## vector_of_doubles

`psi4.vector_of_doubles.``append`()

  Python Library Documentation: method append

  append(...) unbound psi4.vector_of_doubles method

  > append( (vector_of_doubles)arg1, (object)arg2) -> None :

  > > C++ signature :

  > > > void append(std::vector<double, std::allocator<double> > {lvalue},boost::python::api::object)

`psi4.vector_of_doubles.``extend`()

  Python Library Documentation: method extend

  extend(...) unbound psi4.vector_of_doubles method

  > extend( (vector_of_doubles)arg1, (object)arg2) -> None :

  > > C++ signature :

  > > > void extend(std::vector<double, std::allocator<double> > {lvalue},boost::python::api::object)

## Full Docs Output

    Python Library Documentation: built-in module psi4

    NAME
        psi4

    FILE
        (built-in)

    CLASSES
        Boost.Python.enum(__builtin__.int)
            DiagonalizeOrder
            GeometryUnits
            PsiReturnType
        Boost.Python.instance(__builtin__.object)
            AOShellCombinationsIterator
            BasisSet
            BasisSetParser
                Gaussian94BasisSetParser
            CdSalcList
            Checkpoint
            CorrelationFactor
                FittedSlaterCorrelationFactor
            CubeFile
            CubeProperties
            DFChargeFitter
            DFTensor
            Dimension
            Dispersion
            DoublePyBuffer
            EFP
            Environment
            ExternalPotential
            FittingMetric
            Functional
            GaussianShell
            IO
            IOManager
            IntVector
            IntegralFactory
            JK
            LaplaceDenominator
            LibFragDriver
            LibParallelHelper
            Localizer
                BoysLocalizer
                PMLocalizer
            Matrix
            MatrixFactory
            MintsHelper
            MoldenWriter
            Molecule
            MultipoleSymmetry
            NBOWriter
            OEProp
            OneBodyAOInt
                AngularMomentumInt
                DipoleInt
                ElectricFieldInt
                ElectrostaticInt
                KineticInt
                MultipoleInt
                NablaInt
                OverlapInt
                PotentialInt
                PseudospectralInt
                QuadrupoleInt
                TracelessQuadrupoleInt
            OrbitalSpace
            PetiteList
            PointGroup
            Process
            PseudoTrial
            Psi_Numpy_Interface
            SOBasisSet
            SuperFunctional
            SymmetryOperation
            ThreeCenterOverlapInt
            TwoBodyAOInt
                TwoElectronInt
                    ERI
                    ErfComplementERI
                    ErfERI
                    F12
                    F12DoubleCommutator
                    F12G12
                    F12Squared
            Vector
            Vector3
            View
            Wavefunction
                HF
                    RHF(HF, Wavefunction)
            matrix_vector
            vector_of_doubles

        class AOShellCombinationsIterator(Boost.Python.instance)
         |  Method resolution order:
         |      AOShellCombinationsIterator
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  first(...)
         |      first( (AOShellCombinationsIterator)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void first(psi::AOShellCombinationsIterator {lvalue})
         |
         |  is_done(...)
         |      is_done( (AOShellCombinationsIterator)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_done(psi::AOShellCombinationsIterator {lvalue})
         |
         |  next(...)
         |      next( (AOShellCombinationsIterator)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void next(psi::AOShellCombinationsIterator {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors defined here:
         |
         |  p
         |      docstring
         |
         |  q
         |      docstring
         |
         |  r
         |      docstring
         |
         |  s
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class AngularMomentumInt(OneBodyAOInt)
         |  docstring
         |
         |  Method resolution order:
         |      AngularMomentumInt
         |      OneBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from OneBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_shell(psi::OneBodyAOInt {lvalue},int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from OneBodyAOInt:
         |
         |  basis
         |      The basis set on center one
         |
         |  basis1
         |      The basis set on center one
         |
         |  basis2
         |      The basis set on center two
         |
         |  origin
         |      The origin about which the one body ints are being computed.
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class BasisSet(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      BasisSet
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ao_to_shell(...)
         |      ao_to_shell( (BasisSet)arg1, (int)arg2) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int ao_to_shell(psi::BasisSet {lvalue},int)
         |
         |  decontract(...)
         |      decontract( (BasisSet)arg1) -> BasisSet :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::BasisSet> decontract(psi::BasisSet {lvalue})
         |
         |  function_to_center(...)
         |      function_to_center( (BasisSet)arg1, (int)arg2) -> int :
         |          Given a function number, return the number of the center it is on.
         |
         |          C++ signature :
         |              int function_to_center(psi::BasisSet {lvalue},int)
         |
         |  function_to_shell(...)
         |      function_to_shell( (BasisSet)arg1, (int)arg2) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int function_to_shell(psi::BasisSet {lvalue},int)
         |
         |  genbas(...)
         |      genbas( (BasisSet)arg1) -> str :
         |          Returns basis set per atom in CFOUR format
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > genbas(psi::BasisSet {lvalue})
         |
         |  has_puream(...)
         |      has_puream( (BasisSet)arg1) -> bool :
         |          Spherical harmonics?
         |
         |          C++ signature :
         |              bool has_puream(psi::BasisSet {lvalue})
         |
         |  max_am(...)
         |      max_am( (BasisSet)arg1) -> int :
         |          Returns maximum angular momentum used
         |
         |          C++ signature :
         |              int max_am(psi::BasisSet {lvalue})
         |
         |  max_function_per_shell(...)
         |      max_function_per_shell( (BasisSet)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int max_function_per_shell(psi::BasisSet {lvalue})
         |
         |  max_nprimitive(...)
         |      max_nprimitive( (BasisSet)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int max_nprimitive(psi::BasisSet {lvalue})
         |
         |  nao(...)
         |      nao( (BasisSet)arg1) -> int :
         |          Returns number of atomic orbitals (Cartesian)
         |
         |          C++ signature :
         |              int nao(psi::BasisSet {lvalue})
         |
         |  nbf(...)
         |      nbf( (BasisSet)arg1) -> int :
         |          Returns number of basis functions (Cartesian or spherical depending on has_puream)
         |
         |          C++ signature :
         |              int nbf(psi::BasisSet {lvalue})
         |
         |  nprimitive(...)
         |      nprimitive( (BasisSet)arg1) -> int :
         |          Returns total number of primitives in all contractions
         |
         |          C++ signature :
         |              int nprimitive(psi::BasisSet {lvalue})
         |
         |  nshell(...)
         |      nshell( (BasisSet)arg1) -> int :
         |          Returns number of shells
         |
         |          C++ signature :
         |              int nshell(psi::BasisSet {lvalue})
         |
         |  nshell_on_center(...)
         |      nshell_on_center( (BasisSet)arg1, (int)arg2) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nshell_on_center(psi::BasisSet {lvalue},int)
         |
         |  print_detail_out(...)
         |      print_detail_out( (BasisSet)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_detail_out(psi::BasisSet {lvalue})
         |
         |  print_out(...)
         |      print_out( (BasisSet)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_out(psi::BasisSet {lvalue})
         |
         |  shell(...)
         |      shell( (BasisSet)arg1, (int)arg2) -> GaussianShell :
         |          docstring
         |
         |          C++ signature :
         |              psi::GaussianShell shell(psi::BasisSet {lvalue},int)
         |
         |      shell( (BasisSet)arg1, (int)arg2, (int)arg3) -> GaussianShell :
         |          docstring
         |
         |          C++ signature :
         |              psi::GaussianShell shell(psi::BasisSet {lvalue},int,int)
         |
         |  shell_to_ao_function(...)
         |      shell_to_ao_function( (BasisSet)arg1, (int)arg2) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int shell_to_ao_function(psi::BasisSet {lvalue},int)
         |
         |  shell_to_basis_function(...)
         |      shell_to_basis_function( (BasisSet)arg1, (int)arg2) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int shell_to_basis_function(psi::BasisSet {lvalue},int)
         |
         |  shell_to_center(...)
         |      shell_to_center( (BasisSet)arg1, (int)arg2) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int shell_to_center(psi::BasisSet {lvalue},int)
         |
         |  ----------------------------------------------------------------------
         |  Static methods defined here:
         |
         |  construct(...)
         |      construct( (BasisSetParser)arg1, (Molecule)arg2, (str)arg3) -> BasisSet :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::BasisSet> construct(boost::shared_ptr<psi::BasisSetParser>,boost::shared_ptr<psi::Molecule>,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  make_filename(...)
         |      make_filename( (str)arg1) -> str :
         |          Returns filename for basis name: pluses, stars, parentheses replaced and gbs extension added
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > make_filename(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  pyconstruct_auxiliary(...)
         |      pyconstruct_auxiliary( (Molecule)arg1, (str)arg2, (str)arg3, (str)arg4, (str)arg5 [, (int)arg6]) -> BasisSet :
         |          Returns new BasisSet for Molecule arg1 for target keyword name arg2 and target keyword value arg3. This suffices for orbital basis sets. For auxiliary basis sets, a default fitting role (e.g., RIFIT, JKFIT) arg4 and orbital keyword value arg5 are required. An optional argument to force the puream setting is arg4 for orbital basis sets and arg6 for auxiliary basis sets.
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::BasisSet> pyconstruct_auxiliary(boost::shared_ptr<psi::Molecule>,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,int])
         |
         |  pyconstruct_orbital(...)
         |      pyconstruct_orbital( (Molecule)arg1, (str)arg2, (str)arg3 [, (int)arg4]) -> BasisSet :
         |          Returns new BasisSet for Molecule arg1 for target keyword name arg2 and target keyword value arg3. This suffices for orbital basis sets. For auxiliary basis sets, a default fitting role (e.g., RIFIT, JKFIT) arg4 and orbital keyword value arg5 are required. An optional argument to force the puream setting is arg4 for orbital basis sets and arg6 for auxiliary basis sets.
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::BasisSet> pyconstruct_orbital(boost::shared_ptr<psi::Molecule>,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,int])
         |
         |  zero_ao_basis_set(...)
         |      zero_ao_basis_set() -> BasisSet :
         |          Returns a BasisSet object that actually has a single s-function at the origin with an exponent of 0.0 and contraction of 1.0.
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::BasisSet> zero_ao_basis_set()
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class BasisSetParser(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      BasisSetParser
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class BoysLocalizer(Localizer)
         |  docstring
         |
         |  Method resolution order:
         |      BoysLocalizer
         |      Localizer
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from Localizer:
         |
         |  localize(...)
         |      localize( (Localizer)arg1) -> None :
         |          Perform the localization procedure
         |
         |          C++ signature :
         |              void localize(psi::Localizer {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Static methods inherited from Localizer:
         |
         |  build(...)
         |      build( (str)arg1, (BasisSet)arg2, (Matrix)arg3) -> Localizer :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Localizer> build(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::Matrix>)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Localizer:
         |
         |  L
         |      Localized orbital coefficients
         |
         |  U
         |      Orbital rotation matrix
         |
         |  converged
         |      Did the localization procedure converge?
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class CdSalcList(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      CdSalcList
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  matrix(...)
         |      matrix( (CdSalcList)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> matrix(psi::CdSalcList {lvalue})
         |
         |  print_out(...)
         |      print_out( (CdSalcList)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_out(psi::CdSalcList {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class Checkpoint(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      Checkpoint
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1, (IO)arg2, (int)arg3) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,psi::PSIO*,int)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Static methods defined here:
         |
         |  shared_object(...)
         |      shared_object() -> Checkpoint :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Chkpt> shared_object()
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors defined here:
         |
         |  disp
         |      docstring
         |
         |  e_t
         |      docstring
         |
         |  eccsd
         |      docstring
         |
         |  ecorr
         |      docstring
         |
         |  efzc
         |      docstring
         |
         |  emp2
         |      docstring
         |
         |  enuc
         |      docstring
         |
         |  eref
         |      docstring
         |
         |  escf
         |      docstring
         |
         |  etot
         |      docstring
         |
         |  label
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class CorrelationFactor(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      CorrelationFactor
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1, (int)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,unsigned int)
         |
         |      __init__( (object)arg1, (Vector)arg2, (Vector)arg3) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  set_params(...)
         |      set_params( (CorrelationFactor)arg1, (Vector)arg2, (Vector)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_params(psi::CorrelationFactor {lvalue},boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class CubeFile(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      CubeFile
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  process_density(...)
         |      process_density( (CubeFile)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void process_density(psi::CubeFile {lvalue})
         |
         |  set_buffer(...)
         |      set_buffer( (CubeFile)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_buffer(psi::CubeFile {lvalue},double)
         |
         |  set_filename(...)
         |      set_filename( (CubeFile)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_filename(psi::CubeFile {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_npts(...)
         |      set_npts( (CubeFile)arg1, (int)arg2, (int)arg3, (int)arg4) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_npts(psi::CubeFile {lvalue},int,int,int)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class CubeProperties(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      CubeProperties
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  compute_properties(...)
         |      compute_properties( (CubeProperties)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_properties(psi::CubeProperties {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class DFChargeFitter(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      DFChargeFitter
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  d(...)
         |      d( (DFChargeFitter)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> d(psi::DFChargeFitter {lvalue})
         |
         |  fit(...)
         |      fit( (DFChargeFitter)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> fit(psi::DFChargeFitter {lvalue})
         |
         |  setAuxiliary(...)
         |      setAuxiliary( (DFChargeFitter)arg1, (BasisSet)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void setAuxiliary(psi::DFChargeFitter {lvalue},boost::shared_ptr<psi::BasisSet>)
         |
         |  setD(...)
         |      setD( (DFChargeFitter)arg1, (Matrix)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void setD(psi::DFChargeFitter {lvalue},boost::shared_ptr<psi::Matrix>)
         |
         |  setPrimary(...)
         |      setPrimary( (DFChargeFitter)arg1, (BasisSet)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void setPrimary(psi::DFChargeFitter {lvalue},boost::shared_ptr<psi::BasisSet>)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class DFTensor(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      DFTensor
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  Idfmo(...)
         |      Idfmo( (DFTensor)arg1) -> Matrix :
         |          doctsring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Idfmo(psi::DFTensor {lvalue})
         |
         |  Imo(...)
         |      Imo( (DFTensor)arg1) -> Matrix :
         |          doctsring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Imo(psi::DFTensor {lvalue})
         |
         |  Qmo(...)
         |      Qmo( (DFTensor)arg1) -> Matrix :
         |          doctsring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Qmo(psi::DFTensor {lvalue})
         |
         |  Qoo(...)
         |      Qoo( (DFTensor)arg1) -> Matrix :
         |          doctsring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Qoo(psi::DFTensor {lvalue})
         |
         |  Qov(...)
         |      Qov( (DFTensor)arg1) -> Matrix :
         |          doctsring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Qov(psi::DFTensor {lvalue})
         |
         |  Qso(...)
         |      Qso( (DFTensor)arg1) -> Matrix :
         |          doctsring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Qso(psi::DFTensor {lvalue})
         |
         |  Qvv(...)
         |      Qvv( (DFTensor)arg1) -> Matrix :
         |          doctsring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Qvv(psi::DFTensor {lvalue})
         |
         |  __init__(...)
         |      __init__( (object)arg1, (BasisSet)arg2, (BasisSet)arg3, (Matrix)arg4, (int)arg5, (int)arg6) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::Matrix>,int,int)
         |
         |      __init__( (object)arg1, (Wavefunction)arg2, (str)arg3) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,boost::shared_ptr<psi::Wavefunction>,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class DiagonalizeOrder(Boost.Python.enum)
         |  docstring
         |
         |  Method resolution order:
         |      DiagonalizeOrder
         |      Boost.Python.enum
         |      __builtin__.int
         |      __builtin__.object
         |
         |  Data and other attributes defined here:
         |
         |  Ascending = psi4.DiagonalizeOrder.Ascending
         |
         |  Descending = psi4.DiagonalizeOrder.Descending
         |
         |  names = {'Ascending': psi4.DiagonalizeOrder.Ascending, 'Descending': p...
         |
         |  values = {1: psi4.DiagonalizeOrder.Ascending, 3: psi4.DiagonalizeOrder...
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from Boost.Python.enum:
         |
         |  __repr__(...)
         |      x.__repr__() <==> repr(x)
         |
         |  __str__(...)
         |      x.__str__() <==> str(x)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.enum:
         |
         |  name
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from __builtin__.int:
         |
         |  __abs__(...)
         |      x.__abs__() <==> abs(x)
         |
         |  __add__(...)
         |      x.__add__(y) <==> x+y
         |
         |  __and__(...)
         |      x.__and__(y) <==> x&y
         |
         |  __cmp__(...)
         |      x.__cmp__(y) <==> cmp(x,y)
         |
         |  __coerce__(...)
         |      x.__coerce__(y) <==> coerce(x, y)
         |
         |  __div__(...)
         |      x.__div__(y) <==> x/y
         |
         |  __divmod__(...)
         |      x.__divmod__(y) <==> divmod(x, y)
         |
         |  __float__(...)
         |      x.__float__() <==> float(x)
         |
         |  __floordiv__(...)
         |      x.__floordiv__(y) <==> x//y
         |
         |  __format__(...)
         |
         |  __getattribute__(...)
         |      x.__getattribute__('name') <==> x.name
         |
         |  __getnewargs__(...)
         |
         |  __hash__(...)
         |      x.__hash__() <==> hash(x)
         |
         |  __hex__(...)
         |      x.__hex__() <==> hex(x)
         |
         |  __index__(...)
         |      x[y:z] <==> x[y.__index__():z.__index__()]
         |
         |  __int__(...)
         |      x.__int__() <==> int(x)
         |
         |  __invert__(...)
         |      x.__invert__() <==> ~x
         |
         |  __long__(...)
         |      x.__long__() <==> long(x)
         |
         |  __lshift__(...)
         |      x.__lshift__(y) <==> x<<y
         |
         |  __mod__(...)
         |      x.__mod__(y) <==> x%y
         |
         |  __mul__(...)
         |      x.__mul__(y) <==> x*y
         |
         |  __neg__(...)
         |      x.__neg__() <==> -x
         |
         |  __nonzero__(...)
         |      x.__nonzero__() <==> x != 0
         |
         |  __oct__(...)
         |      x.__oct__() <==> oct(x)
         |
         |  __or__(...)
         |      x.__or__(y) <==> x|y
         |
         |  __pos__(...)
         |      x.__pos__() <==> +x
         |
         |  __pow__(...)
         |      x.__pow__(y[, z]) <==> pow(x, y[, z])
         |
         |  __radd__(...)
         |      x.__radd__(y) <==> y+x
         |
         |  __rand__(...)
         |      x.__rand__(y) <==> y&x
         |
         |  __rdiv__(...)
         |      x.__rdiv__(y) <==> y/x
         |
         |  __rdivmod__(...)
         |      x.__rdivmod__(y) <==> divmod(y, x)
         |
         |  __rfloordiv__(...)
         |      x.__rfloordiv__(y) <==> y//x
         |
         |  __rlshift__(...)
         |      x.__rlshift__(y) <==> y<<x
         |
         |  __rmod__(...)
         |      x.__rmod__(y) <==> y%x
         |
         |  __rmul__(...)
         |      x.__rmul__(y) <==> y*x
         |
         |  __ror__(...)
         |      x.__ror__(y) <==> y|x
         |
         |  __rpow__(...)
         |      y.__rpow__(x[, z]) <==> pow(x, y[, z])
         |
         |  __rrshift__(...)
         |      x.__rrshift__(y) <==> y>>x
         |
         |  __rshift__(...)
         |      x.__rshift__(y) <==> x>>y
         |
         |  __rsub__(...)
         |      x.__rsub__(y) <==> y-x
         |
         |  __rtruediv__(...)
         |      x.__rtruediv__(y) <==> y/x
         |
         |  __rxor__(...)
         |      x.__rxor__(y) <==> y^x
         |
         |  __sub__(...)
         |      x.__sub__(y) <==> x-y
         |
         |  __truediv__(...)
         |      x.__truediv__(y) <==> x/y
         |
         |  __trunc__(...)
         |      Truncating an Integral returns itself.
         |
         |  __xor__(...)
         |      x.__xor__(y) <==> x^y
         |
         |  bit_length(...)
         |      int.bit_length() -> int
         |
         |      Number of bits necessary to represent self in binary.
         |      >>> bin(37)
         |      '0b100101'
         |      >>> (37).bit_length()
         |      6
         |
         |  conjugate(...)
         |      Returns self, the complex conjugate of any int.
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from __builtin__.int:
         |
         |  denominator
         |      the denominator of a rational number in lowest terms
         |
         |  imag
         |      the imaginary part of a complex number
         |
         |  numerator
         |      the numerator of a rational number in lowest terms
         |
         |  real
         |      the real part of a complex number
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from __builtin__.int:
         |
         |  __new__ = <built-in method __new__ of type object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class Dimension(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      Dimension
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __getitem__(...)
         |      __getitem__( (Dimension)arg1, (int)arg2) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int __getitem__(psi::Dimension {lvalue},int)
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |      __init__( (object)arg1, (int)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,int)
         |
         |      __init__( (object)arg1, (int)arg2, (str)arg3) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,int,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  __setitem__(...)
         |      __setitem__( (Dimension)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void __setitem__(psi::Dimension {lvalue},int,int)
         |
         |  init(...)
         |      init( (Dimension)arg1, (str)arg2, (int)arg3) -> None :
         |          Re-initializes the dimension object
         |
         |          C++ signature :
         |              void init(psi::Dimension {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,int)
         |
         |  n(...)
         |      n( (Dimension)arg1) -> int :
         |          The order of the dimension
         |
         |          C++ signature :
         |              int n(psi::Dimension {lvalue})
         |
         |  print_out(...)
         |      print_out( (Dimension)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_out(psi::Dimension {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors defined here:
         |
         |  name
         |      The name of the dimension. Used in printing.
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 64
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class DipoleInt(OneBodyAOInt)
         |  docstring
         |
         |  Method resolution order:
         |      DipoleInt
         |      OneBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from OneBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_shell(psi::OneBodyAOInt {lvalue},int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from OneBodyAOInt:
         |
         |  basis
         |      The basis set on center one
         |
         |  basis1
         |      The basis set on center one
         |
         |  basis2
         |      The basis set on center two
         |
         |  origin
         |      The origin about which the one body ints are being computed.
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class Dispersion(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      Dispersion
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  a1(...)
         |      a1( (Dispersion)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double a1(psi::Dispersion {lvalue})
         |
         |  a2(...)
         |      a2( (Dispersion)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double a2(psi::Dispersion {lvalue})
         |
         |  bibtex(...)
         |      bibtex( (Dispersion)arg1) -> str :
         |          Get the BibTeX key for the literature reference.
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > bibtex(psi::Dispersion {lvalue})
         |
         |  citation(...)
         |      citation( (Dispersion)arg1) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > citation(psi::Dispersion {lvalue})
         |
         |  compute_energy(...)
         |      compute_energy( (Dispersion)arg1, (Molecule)arg2) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double compute_energy(psi::Dispersion {lvalue},boost::shared_ptr<psi::Molecule>)
         |
         |  compute_gradient(...)
         |      compute_gradient( (Dispersion)arg1, (Molecule)arg2) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> compute_gradient(psi::Dispersion {lvalue},boost::shared_ptr<psi::Molecule>)
         |
         |  compute_hessian(...)
         |      compute_hessian( (Dispersion)arg1, (Molecule)arg2) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> compute_hessian(psi::Dispersion {lvalue},boost::shared_ptr<psi::Molecule>)
         |
         |  d(...)
         |      d( (Dispersion)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double d(psi::Dispersion {lvalue})
         |
         |  description(...)
         |      description( (Dispersion)arg1) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > description(psi::Dispersion {lvalue})
         |
         |  name(...)
         |      name( (Dispersion)arg1) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > name(psi::Dispersion {lvalue})
         |
         |  print_energy(...)
         |      print_energy( (Dispersion)arg1, (Molecule)arg2) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > print_energy(psi::Dispersion {lvalue},boost::shared_ptr<psi::Molecule>)
         |
         |  print_gradient(...)
         |      print_gradient( (Dispersion)arg1, (Molecule)arg2) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > print_gradient(psi::Dispersion {lvalue},boost::shared_ptr<psi::Molecule>)
         |
         |  print_hessian(...)
         |      print_hessian( (Dispersion)arg1, (Molecule)arg2) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > print_hessian(psi::Dispersion {lvalue},boost::shared_ptr<psi::Molecule>)
         |
         |  print_out(...)
         |      print_out( (Dispersion)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_out(psi::Dispersion {lvalue})
         |
         |  s6(...)
         |      s6( (Dispersion)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double s6(psi::Dispersion {lvalue})
         |
         |  s8(...)
         |      s8( (Dispersion)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double s8(psi::Dispersion {lvalue})
         |
         |  set_bibtex(...)
         |      set_bibtex( (Dispersion)arg1, (str)arg2) -> None :
         |          Set the BibTeX key for the literature reference.
         |
         |          C++ signature :
         |              void set_bibtex(psi::Dispersion {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_citation(...)
         |      set_citation( (Dispersion)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_citation(psi::Dispersion {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_description(...)
         |      set_description( (Dispersion)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_description(psi::Dispersion {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_name(...)
         |      set_name( (Dispersion)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_name(psi::Dispersion {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  sr6(...)
         |      sr6( (Dispersion)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double sr6(psi::Dispersion {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Static methods defined here:
         |
         |  build(...)
         |      build( (str)arg1, (float)arg2, (float)arg3, (float)arg4, (float)arg5) -> Dispersion :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Dispersion> build(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double,double,double,double)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class DoublePyBuffer(Boost.Python.instance)
         |  Buffer interface to NumPy arrays
         |
         |  Method resolution order:
         |      DoublePyBuffer
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors defined here:
         |
         |  __array_interface__
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class EFP(Boost.Python.instance)
         |  Class interfacing with libefp
         |
         |  Method resolution order:
         |      EFP
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1, (object)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,psi::Options {lvalue})
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  compute(...)
         |      compute( (EFP)arg1) -> None :
         |          Computes libefp energies and, if active, torque
         |
         |          C++ signature :
         |              void compute(psi::efp::EFP {lvalue})
         |
         |  nfragments(...)
         |      nfragments( (EFP)arg1) -> int :
         |          Returns the number of EFP fragments in the molecule
         |
         |          C++ signature :
         |              int nfragments(psi::efp::EFP {lvalue})
         |
         |  print_out(...)
         |      print_out( (EFP)arg1) -> None :
         |          Prints options settings and EFP and QM geometries
         |
         |          C++ signature :
         |              void print_out(psi::efp::EFP {lvalue})
         |
         |  set_qm_atoms(...)
         |      set_qm_atoms( (EFP)arg1) -> None :
         |          Provides libefp with QM fragment information
         |
         |          C++ signature :
         |              void set_qm_atoms(psi::efp::EFP {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class ERI(TwoElectronInt)
         |  docstring
         |
         |  Method resolution order:
         |      ERI
         |      TwoElectronInt
         |      TwoBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from TwoBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :
         |          docstring
         |
         |          C++ signature :
         |              unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from TwoBodyAOInt:
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class ElectricFieldInt(OneBodyAOInt)
         |  docstring
         |
         |  Method resolution order:
         |      ElectricFieldInt
         |      OneBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from OneBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_shell(psi::OneBodyAOInt {lvalue},int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from OneBodyAOInt:
         |
         |  basis
         |      The basis set on center one
         |
         |  basis1
         |      The basis set on center one
         |
         |  basis2
         |      The basis set on center two
         |
         |  origin
         |      The origin about which the one body ints are being computed.
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class ElectrostaticInt(OneBodyAOInt)
         |  docstring
         |
         |  Method resolution order:
         |      ElectrostaticInt
         |      OneBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from OneBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_shell(psi::OneBodyAOInt {lvalue},int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from OneBodyAOInt:
         |
         |  basis
         |      The basis set on center one
         |
         |  basis1
         |      The basis set on center one
         |
         |  basis2
         |      The basis set on center two
         |
         |  origin
         |      The origin about which the one body ints are being computed.
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class Environment(Boost.Python.instance)
         |  Method resolution order:
         |      Environment
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __getitem__(...)
         |      __getitem__( (Environment)arg1, (str)arg2) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > __getitem__(psi::Process::Environment {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 472
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class ErfComplementERI(TwoElectronInt)
         |  docstring
         |
         |  Method resolution order:
         |      ErfComplementERI
         |      TwoElectronInt
         |      TwoBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from TwoBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :
         |          docstring
         |
         |          C++ signature :
         |              unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from TwoBodyAOInt:
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class ErfERI(TwoElectronInt)
         |  docstring
         |
         |  Method resolution order:
         |      ErfERI
         |      TwoElectronInt
         |      TwoBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from TwoBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :
         |          docstring
         |
         |          C++ signature :
         |              unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from TwoBodyAOInt:
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class ExternalPotential(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      ExternalPotential
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  addBasis(...)
         |      addBasis( (ExternalPotential)arg1, (BasisSet)arg2, (Vector)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void addBasis(psi::ExternalPotential {lvalue},boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::Vector>)
         |
         |  addCharge(...)
         |      addCharge( (ExternalPotential)arg1, (float)arg2, (float)arg3, (float)arg4, (float)arg5) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void addCharge(psi::ExternalPotential {lvalue},double,double,double,double)
         |
         |  clear(...)
         |      clear( (ExternalPotential)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void clear(psi::ExternalPotential {lvalue})
         |
         |  computePotentialMatrix(...)
         |      computePotentialMatrix( (ExternalPotential)arg1, (BasisSet)arg2) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> computePotentialMatrix(psi::ExternalPotential {lvalue},boost::shared_ptr<psi::BasisSet>)
         |
         |  print_out(...)
         |      print_out( (ExternalPotential)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_out(psi::ExternalPotential {lvalue})
         |
         |  setName(...)
         |      setName( (ExternalPotential)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void setName(psi::ExternalPotential {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class F12(TwoElectronInt)
         |  docstring
         |
         |  Method resolution order:
         |      F12
         |      TwoElectronInt
         |      TwoBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from TwoBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :
         |          docstring
         |
         |          C++ signature :
         |              unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from TwoBodyAOInt:
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class F12DoubleCommutator(TwoElectronInt)
         |  docstring
         |
         |  Method resolution order:
         |      F12DoubleCommutator
         |      TwoElectronInt
         |      TwoBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from TwoBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :
         |          docstring
         |
         |          C++ signature :
         |              unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from TwoBodyAOInt:
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class F12G12(TwoElectronInt)
         |  docstring
         |
         |  Method resolution order:
         |      F12G12
         |      TwoElectronInt
         |      TwoBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from TwoBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :
         |          docstring
         |
         |          C++ signature :
         |              unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from TwoBodyAOInt:
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class F12Squared(TwoElectronInt)
         |  docstring
         |
         |  Method resolution order:
         |      F12Squared
         |      TwoElectronInt
         |      TwoBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from TwoBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :
         |          docstring
         |
         |          C++ signature :
         |              unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from TwoBodyAOInt:
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class FittedSlaterCorrelationFactor(CorrelationFactor)
         |  docstring
         |
         |  Method resolution order:
         |      FittedSlaterCorrelationFactor
         |      CorrelationFactor
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1, (float)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,double)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  exponent(...)
         |      exponent( (FittedSlaterCorrelationFactor)arg1) -> float :
         |
         |          C++ signature :
         |              double exponent(psi::FittedSlaterCorrelationFactor {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from CorrelationFactor:
         |
         |  set_params(...)
         |      set_params( (CorrelationFactor)arg1, (Vector)arg2, (Vector)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_params(psi::CorrelationFactor {lvalue},boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class FittingMetric(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      FittingMetric
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  form_QR_inverse(...)
         |      form_QR_inverse( (FittingMetric)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void form_QR_inverse(psi::FittingMetric {lvalue},double)
         |
         |  form_cholesky_inverse(...)
         |      form_cholesky_inverse( (FittingMetric)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void form_cholesky_inverse(psi::FittingMetric {lvalue})
         |
         |  form_eig_inverse(...)
         |      form_eig_inverse( (FittingMetric)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void form_eig_inverse(psi::FittingMetric {lvalue},double)
         |
         |  form_fitting_metric(...)
         |      form_fitting_metric( (FittingMetric)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void form_fitting_metric(psi::FittingMetric {lvalue})
         |
         |  form_full_inverse(...)
         |      form_full_inverse( (FittingMetric)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void form_full_inverse(psi::FittingMetric {lvalue})
         |
         |  get_algorithm(...)
         |      get_algorithm( (FittingMetric)arg1) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > get_algorithm(psi::FittingMetric {lvalue})
         |
         |  get_metric(...)
         |      get_metric( (FittingMetric)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> get_metric(psi::FittingMetric {lvalue})
         |
         |  get_pivots(...)
         |      get_pivots( (FittingMetric)arg1) -> IntVector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::IntVector> get_pivots(psi::FittingMetric {lvalue})
         |
         |  get_reverse_pivots(...)
         |      get_reverse_pivots( (FittingMetric)arg1) -> IntVector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::IntVector> get_reverse_pivots(psi::FittingMetric {lvalue})
         |
         |  is_inverted(...)
         |      is_inverted( (FittingMetric)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_inverted(psi::FittingMetric {lvalue})
         |
         |  is_poisson(...)
         |      is_poisson( (FittingMetric)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_poisson(psi::FittingMetric {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class Functional(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      Functional
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  alpha(...)
         |      alpha( (Functional)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double alpha(psi::Functional {lvalue})
         |
         |  citation(...)
         |      citation( (Functional)arg1) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > citation(psi::Functional {lvalue})
         |
         |  description(...)
         |      description( (Functional)arg1) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > description(psi::Functional {lvalue})
         |
         |  is_gga(...)
         |      is_gga( (Functional)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_gga(psi::Functional {lvalue})
         |
         |  is_lrc(...)
         |      is_lrc( (Functional)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_lrc(psi::Functional {lvalue})
         |
         |  is_meta(...)
         |      is_meta( (Functional)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_meta(psi::Functional {lvalue})
         |
         |  lsda_cutoff(...)
         |      lsda_cutoff( (Functional)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double lsda_cutoff(psi::Functional {lvalue})
         |
         |  meta_cutoff(...)
         |      meta_cutoff( (Functional)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double meta_cutoff(psi::Functional {lvalue})
         |
         |  name(...)
         |      name( (Functional)arg1) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > name(psi::Functional {lvalue})
         |
         |  omega(...)
         |      omega( (Functional)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double omega(psi::Functional {lvalue})
         |
         |  print_detail(...)
         |      print_detail( (SuperFunctional)arg1, (int)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_detail(psi::SuperFunctional {lvalue},int)
         |
         |  print_out(...)
         |      print_out( (Functional)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_out(psi::Functional {lvalue})
         |
         |  set_alpha(...)
         |      set_alpha( (Functional)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_alpha(psi::Functional {lvalue},double)
         |
         |  set_citation(...)
         |      set_citation( (Functional)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_citation(psi::Functional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_description(...)
         |      set_description( (Functional)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_description(psi::Functional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_gga(...)
         |      set_gga( (Functional)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_gga(psi::Functional {lvalue},bool)
         |
         |  set_lsda_cutoff(...)
         |      set_lsda_cutoff( (Functional)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_lsda_cutoff(psi::Functional {lvalue},double)
         |
         |  set_meta(...)
         |      set_meta( (Functional)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_meta(psi::Functional {lvalue},bool)
         |
         |  set_meta_cutoff(...)
         |      set_meta_cutoff( (Functional)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_meta_cutoff(psi::Functional {lvalue},double)
         |
         |  set_name(...)
         |      set_name( (Functional)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_name(psi::Functional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_omega(...)
         |      set_omega( (Functional)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_omega(psi::Functional {lvalue},double)
         |
         |  set_parameter(...)
         |      set_parameter( (Functional)arg1, (str)arg2, (float)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_parameter(psi::Functional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double)
         |
         |  ----------------------------------------------------------------------
         |  Static methods defined here:
         |
         |  build_base(...)
         |      build_base( (str)arg1) -> Functional :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Functional> build_base(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class Gaussian94BasisSetParser(BasisSetParser)
         |  docstring
         |
         |  Method resolution order:
         |      Gaussian94BasisSetParser
         |      BasisSetParser
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class GaussianShell(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      GaussianShell
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  coef(...)
         |      coef( (GaussianShell)arg1, (int)arg2) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double coef(psi::GaussianShell {lvalue},int)
         |
         |  erd_coef(...)
         |      erd_coef( (GaussianShell)arg1, (int)arg2) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double erd_coef(psi::GaussianShell {lvalue},int)
         |
         |  exp(...)
         |      exp( (GaussianShell)arg1, (int)arg2) -> float :
         |          Returns the exponent of the given primitive
         |
         |          C++ signature :
         |              double exp(psi::GaussianShell {lvalue},int)
         |
         |  is_cartesian(...)
         |      is_cartesian( (GaussianShell)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_cartesian(psi::GaussianShell {lvalue})
         |
         |  is_pure(...)
         |      is_pure( (GaussianShell)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_pure(psi::GaussianShell {lvalue})
         |
         |  original_coef(...)
         |      original_coef( (GaussianShell)arg1, (int)arg2) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double original_coef(psi::GaussianShell {lvalue},int)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors defined here:
         |
         |  AMCHAR
         |      docstring
         |
         |  am
         |      docstring
         |
         |  amchar
         |      docstring
         |
         |  function_index
         |      Basis function index where this shell starts.
         |
         |  ncartesian
         |      docstring
         |
         |  ncenter
         |      docstring
         |
         |  nfunction
         |      docstring
         |
         |  nprimitive
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class GeometryUnits(Boost.Python.enum)
         |  docstring
         |
         |  Method resolution order:
         |      GeometryUnits
         |      Boost.Python.enum
         |      __builtin__.int
         |      __builtin__.object
         |
         |  Data and other attributes defined here:
         |
         |  Angstrom = psi4.GeometryUnits.Angstrom
         |
         |  Bohr = psi4.GeometryUnits.Bohr
         |
         |  names = {'Angstrom': psi4.GeometryUnits.Angstrom, 'Bohr': psi4.Geometr...
         |
         |  values = {0: psi4.GeometryUnits.Angstrom, 1: psi4.GeometryUnits.Bohr}
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from Boost.Python.enum:
         |
         |  __repr__(...)
         |      x.__repr__() <==> repr(x)
         |
         |  __str__(...)
         |      x.__str__() <==> str(x)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.enum:
         |
         |  name
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from __builtin__.int:
         |
         |  __abs__(...)
         |      x.__abs__() <==> abs(x)
         |
         |  __add__(...)
         |      x.__add__(y) <==> x+y
         |
         |  __and__(...)
         |      x.__and__(y) <==> x&y
         |
         |  __cmp__(...)
         |      x.__cmp__(y) <==> cmp(x,y)
         |
         |  __coerce__(...)
         |      x.__coerce__(y) <==> coerce(x, y)
         |
         |  __div__(...)
         |      x.__div__(y) <==> x/y
         |
         |  __divmod__(...)
         |      x.__divmod__(y) <==> divmod(x, y)
         |
         |  __float__(...)
         |      x.__float__() <==> float(x)
         |
         |  __floordiv__(...)
         |      x.__floordiv__(y) <==> x//y
         |
         |  __format__(...)
         |
         |  __getattribute__(...)
         |      x.__getattribute__('name') <==> x.name
         |
         |  __getnewargs__(...)
         |
         |  __hash__(...)
         |      x.__hash__() <==> hash(x)
         |
         |  __hex__(...)
         |      x.__hex__() <==> hex(x)
         |
         |  __index__(...)
         |      x[y:z] <==> x[y.__index__():z.__index__()]
         |
         |  __int__(...)
         |      x.__int__() <==> int(x)
         |
         |  __invert__(...)
         |      x.__invert__() <==> ~x
         |
         |  __long__(...)
         |      x.__long__() <==> long(x)
         |
         |  __lshift__(...)
         |      x.__lshift__(y) <==> x<<y
         |
         |  __mod__(...)
         |      x.__mod__(y) <==> x%y
         |
         |  __mul__(...)
         |      x.__mul__(y) <==> x*y
         |
         |  __neg__(...)
         |      x.__neg__() <==> -x
         |
         |  __nonzero__(...)
         |      x.__nonzero__() <==> x != 0
         |
         |  __oct__(...)
         |      x.__oct__() <==> oct(x)
         |
         |  __or__(...)
         |      x.__or__(y) <==> x|y
         |
         |  __pos__(...)
         |      x.__pos__() <==> +x
         |
         |  __pow__(...)
         |      x.__pow__(y[, z]) <==> pow(x, y[, z])
         |
         |  __radd__(...)
         |      x.__radd__(y) <==> y+x
         |
         |  __rand__(...)
         |      x.__rand__(y) <==> y&x
         |
         |  __rdiv__(...)
         |      x.__rdiv__(y) <==> y/x
         |
         |  __rdivmod__(...)
         |      x.__rdivmod__(y) <==> divmod(y, x)
         |
         |  __rfloordiv__(...)
         |      x.__rfloordiv__(y) <==> y//x
         |
         |  __rlshift__(...)
         |      x.__rlshift__(y) <==> y<<x
         |
         |  __rmod__(...)
         |      x.__rmod__(y) <==> y%x
         |
         |  __rmul__(...)
         |      x.__rmul__(y) <==> y*x
         |
         |  __ror__(...)
         |      x.__ror__(y) <==> y|x
         |
         |  __rpow__(...)
         |      y.__rpow__(x[, z]) <==> pow(x, y[, z])
         |
         |  __rrshift__(...)
         |      x.__rrshift__(y) <==> y>>x
         |
         |  __rshift__(...)
         |      x.__rshift__(y) <==> x>>y
         |
         |  __rsub__(...)
         |      x.__rsub__(y) <==> y-x
         |
         |  __rtruediv__(...)
         |      x.__rtruediv__(y) <==> y/x
         |
         |  __rxor__(...)
         |      x.__rxor__(y) <==> y^x
         |
         |  __sub__(...)
         |      x.__sub__(y) <==> x-y
         |
         |  __truediv__(...)
         |      x.__truediv__(y) <==> x/y
         |
         |  __trunc__(...)
         |      Truncating an Integral returns itself.
         |
         |  __xor__(...)
         |      x.__xor__(y) <==> x^y
         |
         |  bit_length(...)
         |      int.bit_length() -> int
         |
         |      Number of bits necessary to represent self in binary.
         |      >>> bin(37)
         |      '0b100101'
         |      >>> (37).bit_length()
         |      6
         |
         |  conjugate(...)
         |      Returns self, the complex conjugate of any int.
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from __builtin__.int:
         |
         |  denominator
         |      the denominator of a rational number in lowest terms
         |
         |  imag
         |      the imaginary part of a complex number
         |
         |  numerator
         |      the numerator of a rational number in lowest terms
         |
         |  real
         |      the real part of a complex number
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from __builtin__.int:
         |
         |  __new__ = <built-in method __new__ of type object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class HF(Wavefunction)
         |  docstring
         |
         |  Method resolution order:
         |      HF
         |      Wavefunction
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from Wavefunction:
         |
         |  Ca(...)
         |      Ca( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Ca(psi::Wavefunction {lvalue})
         |
         |  Ca_subset(...)
         |      Ca_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Ca_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  Cb(...)
         |      Cb( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Cb(psi::Wavefunction {lvalue})
         |
         |  Cb_subset(...)
         |      Cb_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Cb_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  Da(...)
         |      Da( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Da(psi::Wavefunction {lvalue})
         |
         |  Db(...)
         |      Db( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Db(psi::Wavefunction {lvalue})
         |
         |  Fa(...)
         |      Fa( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Fa(psi::Wavefunction {lvalue})
         |
         |  Fb(...)
         |      Fb( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Fb(psi::Wavefunction {lvalue})
         |
         |  TPDM(...)
         |      TPDM( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> TPDM(psi::Wavefunction {lvalue})
         |
         |  X(...)
         |      X( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> X(psi::Wavefunction {lvalue})
         |
         |  add_postiteration_callback(...)
         |      add_postiteration_callback( (Wavefunction)arg1, (object)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void add_postiteration_callback(psi::Wavefunction {lvalue},_object*)
         |
         |  add_preiteration_callback(...)
         |      add_preiteration_callback( (Wavefunction)arg1, (object)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void add_preiteration_callback(psi::Wavefunction {lvalue},_object*)
         |
         |  alpha_orbital_space(...)
         |      alpha_orbital_space( (Wavefunction)arg1, (str)arg2, (str)arg3, (str)arg4) -> OrbitalSpace :
         |          docstring
         |
         |          C++ signature :
         |              psi::OrbitalSpace alpha_orbital_space(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  aotoso(...)
         |      aotoso( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> aotoso(psi::Wavefunction {lvalue})
         |
         |  atomic_point_charges(...)
         |      atomic_point_charges( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> atomic_point_charges(psi::Wavefunction {lvalue})
         |
         |  basisset(...)
         |      basisset( (Wavefunction)arg1) -> BasisSet :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::BasisSet> basisset(psi::Wavefunction {lvalue})
         |
         |  beta_orbital_space(...)
         |      beta_orbital_space( (Wavefunction)arg1, (str)arg2, (str)arg3, (str)arg4) -> OrbitalSpace :
         |          docstring
         |
         |          C++ signature :
         |              psi::OrbitalSpace beta_orbital_space(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  doccpi(...)
         |      doccpi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension doccpi(psi::Wavefunction {lvalue})
         |
         |  energy(...)
         |      energy( (Wavefunction)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double energy(psi::Wavefunction {lvalue})
         |
         |  epsilon_a(...)
         |      epsilon_a( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> epsilon_a(psi::Wavefunction {lvalue})
         |
         |  epsilon_a_subset(...)
         |      epsilon_a_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> epsilon_a_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  epsilon_b(...)
         |      epsilon_b( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> epsilon_b(psi::Wavefunction {lvalue})
         |
         |  epsilon_b_subset(...)
         |      epsilon_b_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> epsilon_b_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  frequencies(...)
         |      frequencies( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> frequencies(psi::Wavefunction {lvalue})
         |
         |  frzcpi(...)
         |      frzcpi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension frzcpi(psi::Wavefunction {lvalue})
         |
         |  frzvpi(...)
         |      frzvpi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension frzvpi(psi::Wavefunction {lvalue})
         |
         |  gradient(...)
         |      gradient( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> gradient(psi::Wavefunction {lvalue})
         |
         |  molecule(...)
         |      molecule( (Wavefunction)arg1) -> Molecule :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Molecule> molecule(psi::Wavefunction {lvalue})
         |
         |  nalpha(...)
         |      nalpha( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nalpha(psi::Wavefunction {lvalue})
         |
         |      nalpha( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nalpha(psi::Wavefunction {lvalue})
         |
         |  nalphapi(...)
         |      nalphapi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension nalphapi(psi::Wavefunction {lvalue})
         |
         |  nbeta(...)
         |      nbeta( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nbeta(psi::Wavefunction {lvalue})
         |
         |      nbeta( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nbeta(psi::Wavefunction {lvalue})
         |
         |  nbetapi(...)
         |      nbetapi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension nbetapi(psi::Wavefunction {lvalue})
         |
         |  nfrzc(...)
         |      nfrzc( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nfrzc(psi::Wavefunction {lvalue})
         |
         |  nirrep(...)
         |      nirrep( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nirrep(psi::Wavefunction {lvalue})
         |
         |  nmo(...)
         |      nmo( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nmo(psi::Wavefunction {lvalue})
         |
         |  nmopi(...)
         |      nmopi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension nmopi(psi::Wavefunction {lvalue})
         |
         |  normalmodes(...)
         |      normalmodes( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> normalmodes(psi::Wavefunction {lvalue})
         |
         |  nso(...)
         |      nso( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nso(psi::Wavefunction {lvalue})
         |
         |  nsopi(...)
         |      nsopi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension nsopi(psi::Wavefunction {lvalue})
         |
         |  sobasisset(...)
         |      sobasisset( (Wavefunction)arg1) -> SOBasisSet :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::SOBasisSet> sobasisset(psi::Wavefunction {lvalue})
         |
         |  soccpi(...)
         |      soccpi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension soccpi(psi::Wavefunction {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class IO(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      IO
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  close(...)
         |      close( (IO)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void close(psi::PSIO {lvalue},unsigned int,int)
         |
         |  open(...)
         |      open( (IO)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void open(psi::PSIO {lvalue},unsigned int,int)
         |
         |  open_check(...)
         |      open_check( (IO)arg1, (int)arg2) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int open_check(psi::PSIO {lvalue},unsigned int)
         |
         |  rehash(...)
         |      rehash( (IO)arg1, (int)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void rehash(psi::PSIO {lvalue},unsigned int)
         |
         |  set_pid(...)
         |      set_pid( (IO)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_pid(psi::PSIO {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  state(...)
         |      state( (IO)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int state(psi::PSIO {lvalue})
         |
         |  tocclean(...)
         |      tocclean( (IO)arg1, (int)arg2, (str)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void tocclean(psi::PSIO {lvalue},unsigned int,char const*)
         |
         |  tocprint(...)
         |      tocprint( (IO)arg1, (int)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void tocprint(psi::PSIO {lvalue},unsigned int)
         |
         |  tocwrite(...)
         |      tocwrite( (IO)arg1, (int)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void tocwrite(psi::PSIO {lvalue},unsigned int)
         |
         |  ----------------------------------------------------------------------
         |  Static methods defined here:
         |
         |  change_file_namespace(...)
         |      change_file_namespace( (int)arg1, (str)arg2, (str)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void change_file_namespace(unsigned int,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  get_default_namespace(...)
         |      get_default_namespace() -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > get_default_namespace()
         |
         |  set_default_namespace(...)
         |      set_default_namespace( (str)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_default_namespace(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  shared_object(...)
         |      shared_object() -> IO :
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::PSIO> shared_object()
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class IOManager(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      IOManager
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  crashclean(...)
         |      crashclean( (IOManager)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void crashclean(psi::PSIOManager {lvalue})
         |
         |  get_default_path(...)
         |      get_default_path( (IOManager)arg1) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > get_default_path(psi::PSIOManager {lvalue})
         |
         |  get_file_path(...)
         |      get_file_path( (IOManager)arg1, (int)arg2) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > get_file_path(psi::PSIOManager {lvalue},int)
         |
         |  mark_file_for_retention(...)
         |      mark_file_for_retention( (IOManager)arg1, (str)arg2, (bool)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void mark_file_for_retention(psi::PSIOManager {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,bool)
         |
         |  print_out(...)
         |      print_out( (IOManager)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_out(psi::PSIOManager {lvalue})
         |
         |  psiclean(...)
         |      psiclean( (IOManager)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void psiclean(psi::PSIOManager {lvalue})
         |
         |  set_default_path(...)
         |      set_default_path( (IOManager)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_default_path(psi::PSIOManager {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_specific_path(...)
         |      set_specific_path( (IOManager)arg1, (int)arg2, (str)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_specific_path(psi::PSIOManager {lvalue},int,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_specific_retention(...)
         |      set_specific_retention( (IOManager)arg1, (int)arg2, (bool)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_specific_retention(psi::PSIOManager {lvalue},int,bool)
         |
         |  write_scratch_file(...)
         |      write_scratch_file( (IOManager)arg1, (str)arg2, (str)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void write_scratch_file(psi::PSIOManager {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  ----------------------------------------------------------------------
         |  Static methods defined here:
         |
         |  shared_object(...)
         |      shared_object() -> IOManager :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::PSIOManager> shared_object()
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class IntVector(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      IntVector
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |      __init__( (object)arg1, (int)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,int)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  dim(...)
         |      dim( (IntVector)arg1, (int)arg2) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int dim(psi::IntVector {lvalue},int)
         |
         |  get(...)
         |      get( (IntVector)arg1, (int)arg2, (int)arg3) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int get(psi::IntVector {lvalue},int,int)
         |
         |  nirrep(...)
         |      nirrep( (IntVector)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nirrep(psi::IntVector {lvalue})
         |
         |  print_out(...)
         |      print_out( (IntVector)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_out(psi::IntVector {lvalue})
         |
         |  set(...)
         |      set( (IntVector)arg1, (int)arg2, (int)arg3, (int)arg4) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set(psi::IntVector {lvalue},int,int,int)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class IntegralFactory(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      IntegralFactory
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1, (BasisSet)arg2, (BasisSet)arg3, (BasisSet)arg4, (BasisSet)arg5) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>)
         |
         |      __init__( (object)arg1, (BasisSet)arg2 [, (BasisSet)arg3]) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,boost::shared_ptr<psi::BasisSet> [,boost::shared_ptr<psi::BasisSet>])
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ao_angular_momentum(...)
         |      ao_angular_momentum( (IntegralFactory)arg1 [, (int)arg2]) -> OneBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::OneBodyAOInt* ao_angular_momentum(psi::IntegralFactory {lvalue} [,int])
         |
         |  ao_dipole(...)
         |      ao_dipole( (IntegralFactory)arg1 [, (int)arg2]) -> OneBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::OneBodyAOInt* ao_dipole(psi::IntegralFactory {lvalue} [,int])
         |
         |  ao_kinetic(...)
         |      ao_kinetic( (IntegralFactory)arg1 [, (int)arg2]) -> OneBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::OneBodyAOInt* ao_kinetic(psi::IntegralFactory {lvalue} [,int])
         |
         |  ao_multipoles(...)
         |      ao_multipoles( (IntegralFactory)arg1, (int)arg2) -> OneBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::OneBodyAOInt* ao_multipoles(psi::IntegralFactory {lvalue},int)
         |
         |  ao_nabla(...)
         |      ao_nabla( (IntegralFactory)arg1 [, (int)arg2]) -> OneBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::OneBodyAOInt* ao_nabla(psi::IntegralFactory {lvalue} [,int])
         |
         |  ao_overlap(...)
         |      ao_overlap( (IntegralFactory)arg1 [, (int)arg2]) -> OneBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::OneBodyAOInt* ao_overlap(psi::IntegralFactory {lvalue} [,int])
         |
         |  ao_potential(...)
         |      ao_potential( (IntegralFactory)arg1 [, (int)arg2]) -> OneBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::OneBodyAOInt* ao_potential(psi::IntegralFactory {lvalue} [,int])
         |
         |  ao_pseudospectral(...)
         |      ao_pseudospectral( (IntegralFactory)arg1 [, (int)arg2]) -> OneBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::OneBodyAOInt* ao_pseudospectral(psi::IntegralFactory {lvalue} [,int])
         |
         |  ao_quadrupole(...)
         |      ao_quadrupole( (IntegralFactory)arg1) -> OneBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::OneBodyAOInt* ao_quadrupole(psi::IntegralFactory {lvalue})
         |
         |  ao_traceless_quadrupole(...)
         |      ao_traceless_quadrupole( (IntegralFactory)arg1) -> OneBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::OneBodyAOInt* ao_traceless_quadrupole(psi::IntegralFactory {lvalue})
         |
         |  electric_field(...)
         |      electric_field( (IntegralFactory)arg1) -> OneBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::OneBodyAOInt* electric_field(psi::IntegralFactory {lvalue})
         |
         |  electrostatic(...)
         |      electrostatic( (IntegralFactory)arg1) -> OneBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::OneBodyAOInt* electrostatic(psi::IntegralFactory {lvalue})
         |
         |  erf_complement_eri(...)
         |      erf_complement_eri( (IntegralFactory)arg1, (float)arg2 [, (int)arg3 [, (bool)arg4]]) -> TwoBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::TwoBodyAOInt* erf_complement_eri(psi::IntegralFactory {lvalue},double [,int [,bool]])
         |
         |  erf_eri(...)
         |      erf_eri( (IntegralFactory)arg1, (float)arg2 [, (int)arg3 [, (bool)arg4]]) -> TwoBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::TwoBodyAOInt* erf_eri(psi::IntegralFactory {lvalue},double [,int [,bool]])
         |
         |  eri(...)
         |      eri( (IntegralFactory)arg1 [, (int)arg2 [, (bool)arg3]]) -> TwoBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::TwoBodyAOInt* eri(psi::IntegralFactory {lvalue} [,int [,bool]])
         |
         |  f12(...)
         |      f12( (IntegralFactory)arg1, (CorrelationFactor)arg2 [, (int)arg3 [, (bool)arg4]]) -> TwoBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::TwoBodyAOInt* f12(psi::IntegralFactory {lvalue},boost::shared_ptr<psi::CorrelationFactor> [,int [,bool]])
         |
         |  f12_double_commutator(...)
         |      f12_double_commutator( (IntegralFactory)arg1, (CorrelationFactor)arg2 [, (int)arg3 [, (bool)arg4]]) -> TwoBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::TwoBodyAOInt* f12_double_commutator(psi::IntegralFactory {lvalue},boost::shared_ptr<psi::CorrelationFactor> [,int [,bool]])
         |
         |  f12_squared(...)
         |      f12_squared( (IntegralFactory)arg1, (CorrelationFactor)arg2 [, (int)arg3 [, (bool)arg4]]) -> TwoBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::TwoBodyAOInt* f12_squared(psi::IntegralFactory {lvalue},boost::shared_ptr<psi::CorrelationFactor> [,int [,bool]])
         |
         |  f12g12(...)
         |      f12g12( (IntegralFactory)arg1, (CorrelationFactor)arg2 [, (int)arg3 [, (bool)arg4]]) -> TwoBodyAOInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::TwoBodyAOInt* f12g12(psi::IntegralFactory {lvalue},boost::shared_ptr<psi::CorrelationFactor> [,int [,bool]])
         |
         |  overlap_3c(...)
         |      overlap_3c( (IntegralFactory)arg1) -> ThreeCenterOverlapInt :
         |          docstring
         |
         |          C++ signature :
         |              psi::ThreeCenterOverlapInt* overlap_3c(psi::IntegralFactory {lvalue})
         |
         |  shells_iterator(...)
         |      shells_iterator( (IntegralFactory)arg1) -> AOShellCombinationsIterator :
         |          docstring
         |
         |          C++ signature :
         |              psi::AOShellCombinationsIterator* shells_iterator(psi::IntegralFactory {lvalue})
         |
         |  so_multipoles(...)
         |      so_multipoles( (IntegralFactory)arg1, (int)arg2) -> object :
         |          docstring
         |
         |          C++ signature :
         |              psi::OneBodySOInt* so_multipoles(psi::IntegralFactory {lvalue},int)
         |
         |  so_overlap(...)
         |      so_overlap( (IntegralFactory)arg1 [, (int)arg2]) -> object :
         |          docstring
         |
         |          C++ signature :
         |              psi::OneBodySOInt* so_overlap(psi::IntegralFactory {lvalue} [,int])
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class JK(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      JK
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  C_left(...)
         |      C_left( (JK)arg1) -> matrix_vector :
         |
         |          C++ signature :
         |              std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > {lvalue} C_left(psi::JK {lvalue})
         |
         |  C_right(...)
         |      C_right( (JK)arg1) -> matrix_vector :
         |
         |          C++ signature :
         |              std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > {lvalue} C_right(psi::JK {lvalue})
         |
         |  D(...)
         |      D( (JK)arg1) -> matrix_vector :
         |
         |          C++ signature :
         |              std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > D(psi::JK {lvalue})
         |
         |  J(...)
         |      J( (JK)arg1) -> matrix_vector :
         |
         |          C++ signature :
         |              std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > J(psi::JK {lvalue})
         |
         |  K(...)
         |      K( (JK)arg1) -> matrix_vector :
         |
         |          C++ signature :
         |              std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > K(psi::JK {lvalue})
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  compute(...)
         |      compute( (JK)arg1) -> None :
         |
         |          C++ signature :
         |              void compute(psi::JK {lvalue})
         |
         |  finalize(...)
         |      finalize( (JK)arg1) -> None :
         |
         |          C++ signature :
         |              void finalize(psi::JK {lvalue})
         |
         |  initialize(...)
         |      initialize( (JK)arg1) -> None :
         |
         |          C++ signature :
         |              void initialize(psi::JK {lvalue})
         |
         |  print_header(...)
         |      print_header( (JK)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_header(psi::JK {lvalue})
         |
         |  wK(...)
         |      wK( (JK)arg1) -> matrix_vector :
         |
         |          C++ signature :
         |              std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > wK(psi::JK {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Static methods defined here:
         |
         |  build_JK(...)
         |      build_JK() -> JK :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::JK> build_JK()
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class KineticInt(OneBodyAOInt)
         |  docstring
         |
         |  Method resolution order:
         |      KineticInt
         |      OneBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from OneBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_shell(psi::OneBodyAOInt {lvalue},int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from OneBodyAOInt:
         |
         |  basis
         |      The basis set on center one
         |
         |  basis1
         |      The basis set on center one
         |
         |  basis2
         |      The basis set on center two
         |
         |  origin
         |      The origin about which the one body ints are being computed.
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class LaplaceDenominator(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      LaplaceDenominator
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1, (Vector)arg2, (Vector)arg3, (float)arg4) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,double)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  denominator_occ(...)
         |      denominator_occ( (LaplaceDenominator)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> denominator_occ(psi::LaplaceDenominator {lvalue})
         |
         |  denominator_vir(...)
         |      denominator_vir( (LaplaceDenominator)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> denominator_vir(psi::LaplaceDenominator {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class LibFragDriver(Boost.Python.instance)
         |  Method resolution order:
         |      LibFragDriver
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1, (str)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 56
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class LibParallelHelper(Boost.Python.instance)
         |  Method resolution order:
         |      LibParallelHelper
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  AddTask(...)
         |      AddTask( (LibParallelHelper)arg1, (str)arg2, (int)arg3) -> None :
         |
         |          C++ signature :
         |              void AddTask(psi::LibParallel::LibParallelHelper {lvalue},boost::python::str {lvalue},int)
         |
         |  Begin(...)
         |      Begin( (LibParallelHelper)arg1) -> str :
         |
         |          C++ signature :
         |              boost::python::str Begin(psi::LibParallel::LibParallelHelper {lvalue})
         |
         |  Done(...)
         |      Done( (LibParallelHelper)arg1) -> bool :
         |
         |          C++ signature :
         |              bool Done(psi::LibParallel::LibParallelHelper {lvalue})
         |
         |  MakeJob(...)
         |      MakeJob( (LibParallelHelper)arg1) -> None :
         |
         |          C++ signature :
         |              void MakeJob(psi::LibParallel::LibParallelHelper {lvalue})
         |
         |  Next(...)
         |      Next( (LibParallelHelper)arg1) -> str :
         |
         |          C++ signature :
         |              boost::python::str Next(psi::LibParallel::LibParallelHelper {lvalue})
         |
         |  Synch(...)
         |      Synch( (LibParallelHelper)arg1, (list)arg2, (int)arg3) -> list :
         |
         |          C++ signature :
         |              boost::python::list Synch(psi::LibParallel::LibParallelHelper {lvalue},boost::python::list {lvalue},int)
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 48
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class Localizer(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      Localizer
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  localize(...)
         |      localize( (Localizer)arg1) -> None :
         |          Perform the localization procedure
         |
         |          C++ signature :
         |              void localize(psi::Localizer {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Static methods defined here:
         |
         |  build(...)
         |      build( (str)arg1, (BasisSet)arg2, (Matrix)arg3) -> Localizer :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Localizer> build(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::Matrix>)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors defined here:
         |
         |  L
         |      Localized orbital coefficients
         |
         |  U
         |      Orbital rotation matrix
         |
         |  converged
         |      Did the localization procedure converge?
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class Matrix(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      Matrix
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __getitem__(...)
         |      __getitem__( (Matrix)arg1, (tuple)arg2) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double __getitem__(psi::Matrix {lvalue},boost::python::tuple)
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |      __init__( (object)arg1, (int)arg2, (int)arg3) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,int,int)
         |
         |      __init__( (object)arg1, (str)arg2, (Dimension)arg3, (Dimension)arg4) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,psi::Dimension,psi::Dimension)
         |
         |      __init__( (object)arg1, (str)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  __setitem__(...)
         |      __setitem__( (Matrix)arg1, (tuple)arg2, (float)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void __setitem__(psi::Matrix {lvalue},boost::python::tuple,double)
         |
         |  accumulate_product(...)
         |      accumulate_product( (Matrix)arg1, (Matrix)arg2, (Matrix)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void accumulate_product(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)
         |
         |  add(...)
         |      add( (Matrix)arg1, (Matrix)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void add(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix>)
         |
         |  add_and_orthogonalize_row(...)
         |      add_and_orthogonalize_row( (Matrix)arg1, (Vector)arg2) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool add_and_orthogonalize_row(psi::Matrix {lvalue},boost::shared_ptr<psi::Vector>)
         |
         |  array_interfaces(...)
         |      array_interfaces( (Matrix)arg1) -> list :
         |          docstring
         |
         |          C++ signature :
         |              boost::python::list array_interfaces(boost::shared_ptr<psi::Matrix>)
         |
         |  back_transform(...)
         |      back_transform( (Matrix)arg1, (Matrix)arg2, (Matrix)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void back_transform(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)
         |
         |  canonical_orthogonalization(...)
         |      canonical_orthogonalization( (Matrix)arg1, (float)arg2 [, (Matrix)arg3]) -> Matrix :
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> canonical_orthogonalization(psi::Matrix {lvalue},double [,boost::shared_ptr<psi::Matrix>])
         |
         |  cholesky_factorize(...)
         |      cholesky_factorize( (Matrix)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void cholesky_factorize(psi::Matrix {lvalue})
         |
         |  clone(...)
         |      clone( (Matrix)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> clone(psi::Matrix {lvalue})
         |
         |  coldim(...)
         |      coldim( (Matrix)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension coldim(psi::Matrix {lvalue})
         |
         |  cols(...)
         |      cols( (Matrix)arg1, (int)arg2) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int cols(psi::Matrix {lvalue},int)
         |
         |  copy_lower_to_upper(...)
         |      copy_lower_to_upper( (Matrix)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void copy_lower_to_upper(psi::Matrix {lvalue})
         |
         |  copy_upper_to_lower(...)
         |      copy_upper_to_lower( (Matrix)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void copy_upper_to_lower(psi::Matrix {lvalue})
         |
         |  diagonalize(...)
         |      diagonalize( (Matrix)arg1, (Matrix)arg2, (Vector)arg3, (DiagonalizeOrder)arg4) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void diagonalize(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix> {lvalue},boost::shared_ptr<psi::Vector> {lvalue},psi::diagonalize_order)
         |
         |  gemm(...)
         |      gemm( (Matrix)arg1, (bool)arg2, (bool)arg3, (float)arg4, (Matrix)arg5, (Matrix)arg6, (float)arg7) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void gemm(psi::Matrix {lvalue},bool,bool,double,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,double)
         |
         |  get(...)
         |      get( (Matrix)arg1, (int)arg2, (int)arg3 [, (int)arg4]) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double get(psi::Matrix {lvalue},int,int [,int])
         |
         |  identity(...)
         |      identity( (Matrix)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void identity(psi::Matrix {lvalue})
         |
         |  invert(...)
         |      invert( (Matrix)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void invert(psi::Matrix {lvalue})
         |
         |  load(...)
         |      load( (Matrix)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void load(psi::Matrix {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  load_mpqc(...)
         |      load_mpqc( (Matrix)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void load_mpqc(psi::Matrix {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  name(...)
         |      name( (Matrix)arg1) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > name(psi::Matrix {lvalue})
         |
         |  nirrep(...)
         |      nirrep( (Matrix)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nirrep(psi::Matrix {lvalue})
         |
         |  partial_cholesky_factorize(...)
         |      partial_cholesky_factorize( (Matrix)arg1, (float)arg2, (bool)arg3) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> partial_cholesky_factorize(psi::Matrix {lvalue},double,bool)
         |
         |  power(...)
         |      power( (Matrix)arg1, (float)arg2, (float)arg3) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension power(psi::Matrix {lvalue},double,double)
         |
         |  print_out(...)
         |      print_out( (Matrix)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_out(psi::Matrix {lvalue})
         |
         |  project_out(...)
         |      project_out( (Matrix)arg1, (Matrix)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void project_out(psi::Matrix {lvalue},psi::Matrix {lvalue})
         |
         |  remove_symmetry(...)
         |      remove_symmetry( (Matrix)arg1, (Matrix)arg2, (Matrix)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void remove_symmetry(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)
         |
         |  rms(...)
         |      rms( (Matrix)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double rms(psi::Matrix {lvalue})
         |
         |  rowdim(...)
         |      rowdim( (Matrix)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension rowdim(psi::Matrix {lvalue})
         |
         |  rows(...)
         |      rows( (Matrix)arg1, (int)arg2) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int rows(psi::Matrix {lvalue},int)
         |
         |  save(...)
         |      save( (Matrix)arg1, (str)arg2, (bool)arg3, (bool)arg4, (bool)arg5) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void save(psi::Matrix {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,bool,bool,bool)
         |
         |  scale(...)
         |      scale( (Matrix)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void scale(psi::Matrix {lvalue},double)
         |
         |  scale_column(...)
         |      scale_column( (Matrix)arg1, (int)arg2, (int)arg3, (float)arg4) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void scale_column(psi::Matrix {lvalue},int,int,double)
         |
         |  scale_row(...)
         |      scale_row( (Matrix)arg1, (int)arg2, (int)arg3, (float)arg4) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void scale_row(psi::Matrix {lvalue},int,int,double)
         |
         |  schmidt(...)
         |      schmidt( (Matrix)arg1) -> None :
         |
         |          C++ signature :
         |              void schmidt(psi::Matrix {lvalue})
         |
         |  set(...)
         |      set( (Matrix)arg1, (int)arg2, (int)arg3, (float)arg4) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set(psi::Matrix {lvalue},int,int,double)
         |
         |      set( (Matrix)arg1, (int)arg2, (int)arg3, (int)arg4, (float)arg5) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set(psi::Matrix {lvalue},int,int,int,double)
         |
         |      set( (Matrix)arg1, (list)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set(psi::Matrix {lvalue},boost::python::list)
         |
         |  set_name(...)
         |      set_name( (Matrix)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_name(psi::Matrix {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  subtract(...)
         |      subtract( (Matrix)arg1, (Matrix)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void subtract(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix>)
         |
         |  sum_of_squares(...)
         |      sum_of_squares( (Matrix)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double sum_of_squares(psi::Matrix {lvalue})
         |
         |  symmetry(...)
         |      symmetry( (Matrix)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int symmetry(psi::Matrix {lvalue})
         |
         |  trace(...)
         |      trace( (Matrix)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double trace(psi::Matrix {lvalue})
         |
         |  transform(...)
         |      transform( (Matrix)arg1, (Matrix)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void transform(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix>)
         |
         |      transform( (Matrix)arg1, (Matrix)arg2 [, (Matrix)arg3]) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void transform(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix> [,boost::shared_ptr<psi::Matrix>])
         |
         |  vector_dot(...)
         |      vector_dot( (Matrix)arg1, (Matrix)arg2) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double vector_dot(psi::Matrix {lvalue},boost::shared_ptr<psi::Matrix>)
         |
         |  zero(...)
         |      zero( (Matrix)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void zero(psi::Matrix {lvalue})
         |
         |  zero_diagonal(...)
         |      zero_diagonal( (Matrix)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void zero_diagonal(psi::Matrix {lvalue})
         |
         |  zero_lower(...)
         |      zero_lower( (Matrix)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void zero_lower(psi::Matrix {lvalue})
         |
         |  zero_upper(...)
         |      zero_upper( (Matrix)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void zero_upper(psi::Matrix {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors defined here:
         |
         |  __array_interface__
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class MatrixFactory(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      MatrixFactory
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  create_matrix(...)
         |      create_matrix( (MatrixFactory)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> create_matrix(psi::MatrixFactory {lvalue})
         |
         |      create_matrix( (MatrixFactory)arg1, (str)arg2) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> create_matrix(psi::MatrixFactory {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  ----------------------------------------------------------------------
         |  Static methods defined here:
         |
         |  shared_object(...)
         |      shared_object() -> MatrixFactory :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::MatrixFactory> shared_object()
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class MintsHelper(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      MintsHelper
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |      __init__( (object)arg1, (BasisSet)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,boost::shared_ptr<psi::BasisSet>)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ao_angular_momentum(...)
         |      ao_angular_momentum( (MintsHelper)arg1) -> matrix_vector :
         |          docstring
         |
         |          C++ signature :
         |              std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > ao_angular_momentum(psi::MintsHelper {lvalue})
         |
         |  ao_erf_eri(...)
         |      ao_erf_eri( (MintsHelper)arg1, (float)arg2) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_erf_eri(psi::MintsHelper {lvalue},double)
         |
         |  ao_eri(...)
         |      ao_eri( (MintsHelper)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_eri(psi::MintsHelper {lvalue})
         |
         |      ao_eri( (MintsHelper)arg1, (BasisSet)arg2, (BasisSet)arg3, (BasisSet)arg4, (BasisSet)arg5) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_eri(psi::MintsHelper {lvalue},boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>)
         |
         |  ao_eri_shell(...)
         |      ao_eri_shell( (MintsHelper)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_eri_shell(psi::MintsHelper {lvalue},int,int,int,int)
         |
         |  ao_f12(...)
         |      ao_f12( (MintsHelper)arg1, (CorrelationFactor)arg2) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_f12(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>)
         |
         |      ao_f12( (MintsHelper)arg1, (CorrelationFactor)arg2, (BasisSet)arg3, (BasisSet)arg4, (BasisSet)arg5, (BasisSet)arg6) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_f12(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>)
         |
         |  ao_f12_double_commutator(...)
         |      ao_f12_double_commutator( (MintsHelper)arg1, (CorrelationFactor)arg2) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_f12_double_commutator(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>)
         |
         |  ao_f12_scaled(...)
         |      ao_f12_scaled( (MintsHelper)arg1, (CorrelationFactor)arg2) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_f12_scaled(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>)
         |
         |      ao_f12_scaled( (MintsHelper)arg1, (CorrelationFactor)arg2, (BasisSet)arg3, (BasisSet)arg4, (BasisSet)arg5, (BasisSet)arg6) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_f12_scaled(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>)
         |
         |  ao_f12_squared(...)
         |      ao_f12_squared( (MintsHelper)arg1, (CorrelationFactor)arg2) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_f12_squared(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>)
         |
         |  ao_f12g12(...)
         |      ao_f12g12( (MintsHelper)arg1, (CorrelationFactor)arg2) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_f12g12(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>)
         |
         |  ao_kinetic(...)
         |      ao_kinetic( (MintsHelper)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_kinetic(psi::MintsHelper {lvalue})
         |
         |      ao_kinetic( (MintsHelper)arg1, (BasisSet)arg2, (BasisSet)arg3) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_kinetic(psi::MintsHelper {lvalue},boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>)
         |
         |  ao_nabla(...)
         |      ao_nabla( (MintsHelper)arg1) -> matrix_vector :
         |          docstring
         |
         |          C++ signature :
         |              std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > ao_nabla(psi::MintsHelper {lvalue})
         |
         |  ao_overlap(...)
         |      ao_overlap( (MintsHelper)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_overlap(psi::MintsHelper {lvalue})
         |
         |      ao_overlap( (MintsHelper)arg1, (BasisSet)arg2, (BasisSet)arg3) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_overlap(psi::MintsHelper {lvalue},boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>)
         |
         |  ao_potential(...)
         |      ao_potential( (MintsHelper)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_potential(psi::MintsHelper {lvalue})
         |
         |      ao_potential( (MintsHelper)arg1, (BasisSet)arg2, (BasisSet)arg3) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> ao_potential(psi::MintsHelper {lvalue},boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::BasisSet>)
         |
         |  basisset(...)
         |      basisset( (MintsHelper)arg1) -> BasisSet :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::BasisSet> basisset(psi::MintsHelper {lvalue})
         |
         |  cdsalcs(...)
         |      cdsalcs( (MintsHelper)arg1, (int)arg2, (bool)arg3, (bool)arg4) -> CdSalcList :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::CdSalcList> cdsalcs(psi::MintsHelper {lvalue},int,bool,bool)
         |
         |  factory(...)
         |      factory( (MintsHelper)arg1) -> MatrixFactory :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::MatrixFactory> factory(psi::MintsHelper {lvalue})
         |
         |  integral(...)
         |      integral( (MintsHelper)arg1) -> IntegralFactory :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::IntegralFactory> integral(psi::MintsHelper {lvalue})
         |
         |  integrals(...)
         |      integrals( (MintsHelper)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void integrals(psi::MintsHelper {lvalue})
         |
         |  integrals_erf(...)
         |      integrals_erf( (MintsHelper)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void integrals_erf(psi::MintsHelper {lvalue},double)
         |
         |  integrals_erfc(...)
         |      integrals_erfc( (MintsHelper)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void integrals_erfc(psi::MintsHelper {lvalue},double)
         |
         |  mo_erf_eri(...)
         |      mo_erf_eri( (MintsHelper)arg1, (float)arg2, (Matrix)arg3, (Matrix)arg4, (Matrix)arg5, (Matrix)arg6) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> mo_erf_eri(psi::MintsHelper {lvalue},double,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)
         |
         |  mo_eri(...)
         |      mo_eri( (MintsHelper)arg1, (Matrix)arg2, (Matrix)arg3, (Matrix)arg4, (Matrix)arg5) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> mo_eri(psi::MintsHelper {lvalue},boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)
         |
         |  mo_f12(...)
         |      mo_f12( (MintsHelper)arg1, (CorrelationFactor)arg2, (Matrix)arg3, (Matrix)arg4, (Matrix)arg5, (Matrix)arg6) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> mo_f12(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)
         |
         |  mo_f12_double_commutator(...)
         |      mo_f12_double_commutator( (MintsHelper)arg1, (CorrelationFactor)arg2, (Matrix)arg3, (Matrix)arg4, (Matrix)arg5, (Matrix)arg6) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> mo_f12_double_commutator(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)
         |
         |  mo_f12_squared(...)
         |      mo_f12_squared( (MintsHelper)arg1, (CorrelationFactor)arg2, (Matrix)arg3, (Matrix)arg4, (Matrix)arg5, (Matrix)arg6) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> mo_f12_squared(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)
         |
         |  mo_f12g12(...)
         |      mo_f12g12( (MintsHelper)arg1, (CorrelationFactor)arg2, (Matrix)arg3, (Matrix)arg4, (Matrix)arg5, (Matrix)arg6) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> mo_f12g12(psi::MintsHelper {lvalue},boost::shared_ptr<psi::CorrelationFactor>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)
         |
         |  mo_spin_eri(...)
         |      mo_spin_eri( (MintsHelper)arg1, (Matrix)arg2, (Matrix)arg3) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> mo_spin_eri(psi::MintsHelper {lvalue},boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)
         |
         |  mo_transform(...)
         |      mo_transform( (MintsHelper)arg1, (Matrix)arg2, (Matrix)arg3, (Matrix)arg4, (Matrix)arg5, (Matrix)arg6) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> mo_transform(psi::MintsHelper {lvalue},boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>)
         |
         |  one_electron_integrals(...)
         |      one_electron_integrals( (MintsHelper)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void one_electron_integrals(psi::MintsHelper {lvalue})
         |
         |      one_electron_integrals( (MintsHelper)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void one_electron_integrals(psi::MintsHelper {lvalue})
         |
         |  petite_list(...)
         |      petite_list( (MintsHelper)arg1) -> PetiteList :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::PetiteList> petite_list(psi::MintsHelper {lvalue})
         |
         |  petite_list1(...)
         |      petite_list1( (MintsHelper)arg1, (bool)arg2) -> PetiteList :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::PetiteList> petite_list1(psi::MintsHelper {lvalue},bool)
         |
         |  play(...)
         |      play( (MintsHelper)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void play(psi::MintsHelper {lvalue})
         |
         |  so_angular_momentum(...)
         |      so_angular_momentum( (MintsHelper)arg1) -> matrix_vector :
         |          docstring
         |
         |          C++ signature :
         |              std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > so_angular_momentum(psi::MintsHelper {lvalue})
         |
         |  so_dipole(...)
         |      so_dipole( (MintsHelper)arg1) -> matrix_vector :
         |          docstring
         |
         |          C++ signature :
         |              std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > so_dipole(psi::MintsHelper {lvalue})
         |
         |  so_kinetic(...)
         |      so_kinetic( (MintsHelper)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> so_kinetic(psi::MintsHelper {lvalue})
         |
         |  so_nabla(...)
         |      so_nabla( (MintsHelper)arg1) -> matrix_vector :
         |          docstring
         |
         |          C++ signature :
         |              std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > so_nabla(psi::MintsHelper {lvalue})
         |
         |  so_overlap(...)
         |      so_overlap( (MintsHelper)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> so_overlap(psi::MintsHelper {lvalue})
         |
         |  so_potential(...)
         |      so_potential( (MintsHelper)arg1, (bool)arg2) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> so_potential(psi::MintsHelper {lvalue},bool)
         |
         |  so_quadrupole(...)
         |      so_quadrupole( (MintsHelper)arg1) -> matrix_vector :
         |          docstring
         |
         |          C++ signature :
         |              std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > so_quadrupole(psi::MintsHelper {lvalue})
         |
         |  so_traceless_quadrupole(...)
         |      so_traceless_quadrupole( (MintsHelper)arg1) -> matrix_vector :
         |          docstring
         |
         |          C++ signature :
         |              std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > so_traceless_quadrupole(psi::MintsHelper {lvalue})
         |
         |  sobasisset(...)
         |      sobasisset( (MintsHelper)arg1) -> SOBasisSet :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::SOBasisSet> sobasisset(psi::MintsHelper {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class MoldenWriter(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      MoldenWriter
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1, (Wavefunction)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,boost::shared_ptr<psi::Wavefunction>)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  write(...)
         |      write( (MoldenWriter)arg1, (str)arg2, (Matrix)arg3, (Matrix)arg4, (Vector)arg5, (Vector)arg6, (Vector)arg7, (Vector)arg8) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void write(psi::MoldenWriter {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class Molecule(Boost.Python.instance)
         |  Class to store the elements, coordinates, fragmentation pattern, basis sets, charge, multiplicity, etc. of a molecule.
         |
         |  Method resolution order:
         |      Molecule
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  BFS(self)
         |      Perform a breadth-first search (BFS) on the real atoms
         |      in molecule, returning an array of atom indices of fragments.
         |      Relies upon van der Waals radii and so faulty for close
         |      (esp. hydrogen-bonded) fragments. Original code from
         |      Michael S. Marshall.
         |
         |  Z(...)
         |      Z( (Molecule)arg1, (int)arg2) -> float :
         |          Nuclear charge of atom
         |
         |          C++ signature :
         |              double Z(psi::Molecule {lvalue},int)
         |
         |  __getattr__ = new_get_attr(self, name)
         |      Function to redefine __getattr__ method of molecule class.
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  __setattr__ = new_set_attr(self, name, value)
         |      Function to redefine __setattr__ method of molecule class.
         |
         |  activate_all_fragments(...)
         |      activate_all_fragments( (Molecule)arg1) -> None :
         |          Sets all fragments in the molecule to be active
         |
         |          C++ signature :
         |              void activate_all_fragments(psi::Molecule {lvalue})
         |
         |  add_atom(...)
         |      add_atom( (Molecule)arg1, (int)arg2, (float)arg3, (float)arg4, (float)arg5, (str)arg6, (float)arg7, (float)arg8, (int)arg9) -> None :
         |          Adds to Molecule arg1 an atom with atomic number arg2, Cartesian coordinates in Bohr (arg3, arg4, arg5), atomic symbol arg6, mass arg7, charge arg8 (optional), and lineno arg9 (optional)
         |
         |          C++ signature :
         |              void add_atom(psi::Molecule {lvalue},int,double,double,double,char const*,double,double,int)
         |
         |  atom_at_position(...)
         |      atom_at_position( (Molecule)arg1, (float)arg2, (float)arg3) -> int :
         |          Tests to see if an atom is at the position arg2 with a given tolerance arg3
         |
         |          C++ signature :
         |              int atom_at_position(psi::Molecule {lvalue},double*,double)
         |
         |  center_of_mass(...)
         |      center_of_mass( (Molecule)arg1) -> Vector3 :
         |          Computes center of mass of molecule (does not translate molecule)
         |
         |          C++ signature :
         |              psi::Vector3 center_of_mass(psi::Molecule {lvalue})
         |
         |  charge(...)
         |      charge( (Molecule)arg1, (int)arg2) -> float :
         |          Gets charge of atom
         |
         |          C++ signature :
         |              double charge(psi::Molecule {lvalue},int)
         |
         |  clone(...)
         |      clone( (Molecule)arg1) -> Molecule :
         |          Returns a new Molecule identical to arg1
         |
         |          C++ signature :
         |              psi::Molecule clone(psi::Molecule {lvalue})
         |
         |  create_psi4_string_from_molecule(...)
         |      create_psi4_string_from_molecule( (Molecule)arg1) -> str :
         |          Gets a string reexpressing in input format the current states of the molecule
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > create_psi4_string_from_molecule(psi::Molecule {lvalue})
         |
         |  deactivate_all_fragments(...)
         |      deactivate_all_fragments( (Molecule)arg1) -> None :
         |          Sets all fragments in the molecule to be inactive
         |
         |          C++ signature :
         |              void deactivate_all_fragments(psi::Molecule {lvalue})
         |
         |  extract_subsets(...)
         |      extract_subsets( (Molecule)arg1, (list)arg2, (list)arg3) -> Molecule :
         |          Returns copy of arg1 with arg2 fragments Real and arg3 fragments Ghost
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Molecule> extract_subsets(psi::Molecule {lvalue},boost::python::list,boost::python::list)
         |
         |      extract_subsets( (Molecule)arg1, (list)arg2, (int)arg3) -> Molecule :
         |          Returns copy of arg1 with arg2 fragments Real and arg3 fragment Ghost
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Molecule> extract_subsets(psi::Molecule {lvalue},boost::python::list,int)
         |
         |      extract_subsets( (Molecule)arg1, (int)arg2, (list)arg3) -> Molecule :
         |          Returns copy of arg1 with arg2 fragment Real and arg3 fragments Ghost
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Molecule> extract_subsets(psi::Molecule {lvalue},int,boost::python::list)
         |
         |      extract_subsets( (Molecule)arg1, (int)arg2, (int)arg3) -> Molecule :
         |          Returns copy of arg1 with arg2 fragment Real and arg3 fragment Ghost
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Molecule> extract_subsets(psi::Molecule {lvalue},int,int)
         |
         |      extract_subsets( (Molecule)arg1, (list)arg2) -> Molecule :
         |          Returns copy of arg1 with arg2 fragments Real
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Molecule> extract_subsets(psi::Molecule {lvalue},boost::python::list)
         |
         |      extract_subsets( (Molecule)arg1, (int)arg2) -> Molecule :
         |          Returns copy of arg1 with arg2 fragment Real
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Molecule> extract_subsets(psi::Molecule {lvalue},int)
         |
         |  find_point_group(...)
         |      find_point_group( (Molecule)arg1, (float)arg2) -> PointGroup :
         |          Finds computational molecular point group, user can override this with the symmetry keyword
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::PointGroup> find_point_group(psi::Molecule {lvalue},double)
         |
         |  fix_com(...)
         |      fix_com( (Molecule)arg1, (bool)arg2) -> None :
         |          Whether to fix the Cartesian position, or to translate to the C.O.M.
         |
         |          C++ signature :
         |              void fix_com(psi::Molecule {lvalue},bool)
         |
         |  fix_orientation(...)
         |      fix_orientation( (Molecule)arg1, (bool)arg2) -> None :
         |          Fix the orientation at its current frame
         |
         |          C++ signature :
         |              void fix_orientation(psi::Molecule {lvalue},bool)
         |
         |  form_symmetry_information(...)
         |      form_symmetry_information( (Molecule)arg1, (float)arg2) -> None :
         |          Uses the point group object obtain by calling point_group()
         |
         |          C++ signature :
         |              void form_symmetry_information(psi::Molecule {lvalue},double)
         |
         |  geometry(...)
         |      geometry( (Molecule)arg1) -> Matrix :
         |          Gets the geometry as a (Natom X 3) matrix of coordinates (in Bohr)
         |
         |          C++ signature :
         |              psi::Matrix geometry(psi::Molecule {lvalue})
         |
         |  get_full_point_group(...)
         |      get_full_point_group( (Molecule)arg1) -> str :
         |          Gets point group name such as C3v or S8
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > get_full_point_group(psi::Molecule {lvalue})
         |
         |  get_variable(...)
         |      get_variable( (Molecule)arg1, (str)arg2) -> float :
         |          Checks if variable arg2 is in the list, sets it to val and returns true if it is, and returns false if not
         |
         |          C++ signature :
         |              double get_variable(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  init_with_checkpoint(...)
         |      init_with_checkpoint( (Molecule)arg1, (Checkpoint)arg2) -> None :
         |          Populate arg1 member data with information from checkpoint file arg2
         |
         |          C++ signature :
         |              void init_with_checkpoint(psi::Molecule {lvalue},boost::shared_ptr<psi::Chkpt>)
         |
         |  init_with_io(...)
         |      init_with_io( (Molecule)arg1, (IO)arg2) -> None :
         |          Creates a new checkpoint file with information from arg2
         |
         |          C++ signature :
         |              void init_with_io(psi::Molecule {lvalue},boost::shared_ptr<psi::PSIO>)
         |
         |  is_variable(...)
         |      is_variable( (Molecule)arg1, (str)arg2) -> bool :
         |          Checks if variable arg2 is in the list, returns true if it is, and returns false if not
         |
         |          C++ signature :
         |              bool is_variable(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  label(...)
         |      label( (Molecule)arg1, (int)arg2) -> str :
         |          Gets the original label of the atom as given in the input file (C2, H4)
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > label(psi::Molecule {lvalue},int)
         |
         |  mass(...)
         |      mass( (Molecule)arg1, (int)arg2) -> float :
         |          Gets mass of atom arg2
         |
         |          C++ signature :
         |              double mass(psi::Molecule {lvalue},int)
         |
         |  molecular_charge(...)
         |      molecular_charge( (Molecule)arg1) -> int :
         |          Gets the molecular charge
         |
         |          C++ signature :
         |              int molecular_charge(psi::Molecule {lvalue})
         |
         |  move_to_com(...)
         |      move_to_com( (Molecule)arg1) -> None :
         |          Moves molecule to center of mass
         |
         |          C++ signature :
         |              void move_to_com(psi::Molecule {lvalue})
         |
         |  multiplicity(...)
         |      multiplicity( (Molecule)arg1) -> int :
         |          Gets the multiplicity (defined as 2Ms + 1)
         |
         |          C++ signature :
         |              int multiplicity(psi::Molecule {lvalue})
         |
         |  name(...)
         |      name( (Molecule)arg1) -> str :
         |          Gets molecule name
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > name(psi::Molecule {lvalue})
         |
         |  natom(...)
         |      natom( (Molecule)arg1) -> int :
         |          Number of real atoms
         |
         |          C++ signature :
         |              int natom(psi::Molecule {lvalue})
         |
         |  nfragments(...)
         |      nfragments( (Molecule)arg1) -> int :
         |          Gets the number of fragments in the molecule
         |
         |          C++ signature :
         |              int nfragments(psi::Molecule {lvalue})
         |
         |  nuclear_repulsion_energy(...)
         |      nuclear_repulsion_energy( (Molecule)arg1) -> float :
         |          Computes nuclear repulsion energy
         |
         |          C++ signature :
         |              double nuclear_repulsion_energy(psi::Molecule {lvalue})
         |
         |  point_group(...)
         |      point_group( (Molecule)arg1) -> PointGroup :
         |          Returns the current point group object
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::PointGroup> point_group(psi::Molecule {lvalue})
         |
         |  print_in_input_format(...)
         |      print_in_input_format( (Molecule)arg1) -> None :
         |          Prints the molecule as Cartesian or ZMatrix entries, just as inputted.
         |
         |          C++ signature :
         |              void print_in_input_format(psi::Molecule {lvalue})
         |
         |  print_out(...)
         |      print_out( (Molecule)arg1) -> None :
         |          Prints the molecule in Cartesians in input units
         |
         |          C++ signature :
         |              void print_out(psi::Molecule {lvalue})
         |
         |  print_out_in_angstrom(...)
         |      print_out_in_angstrom( (Molecule)arg1) -> None :
         |          Prints the molecule in Cartesians in Angstroms
         |
         |          C++ signature :
         |              void print_out_in_angstrom(psi::Molecule {lvalue})
         |
         |  print_out_in_bohr(...)
         |      print_out_in_bohr( (Molecule)arg1) -> None :
         |          Prints the molecule in Cartesians in Bohr
         |
         |          C++ signature :
         |              void print_out_in_bohr(psi::Molecule {lvalue})
         |
         |  reinterpret_coordentry(...)
         |      reinterpret_coordentry( (Molecule)arg1, (bool)arg2) -> None :
         |          Do reinterpret coordinate entries during update_geometry().
         |
         |          C++ signature :
         |              void reinterpret_coordentry(psi::Molecule {lvalue},bool)
         |
         |  reset_point_group(...)
         |      reset_point_group( (Molecule)arg1, (str)arg2) -> None :
         |          Overrides symmetry from outside the molecule string
         |
         |          C++ signature :
         |              void reset_point_group(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  rotational_constants(...)
         |      rotational_constants( (Molecule)arg1, (float)arg2) -> Vector :
         |          Prints the rotational constants of the molecule
         |
         |          C++ signature :
         |              psi::Vector rotational_constants(psi::Molecule {lvalue},double)
         |
         |  run_dftd3(self, func=None, dashlvl=None, dashparam=None, dertype=None)
         |      Function to call Grimme's dftd3 program (http://toc.uni-muenster.de/DFTD3/)
         |      to compute the -D correction of level *dashlvl* using parameters for
         |      the functional *func*. The dictionary *dashparam* can be used to supply
         |      a full set of dispersion parameters in the absense of *func* or to supply
         |      individual overrides in the presence of *func*. Returns energy if *dertype* is 0,
         |      gradient if *dertype* is 1, else tuple of energy and gradient if *dertype*
         |      unspecified. The dftd3 executable must be independently compiled and found in
         |      :envvar:`PATH` or :envvar:`PSIPATH`.
         |
         |  save_string_xyz(...)
         |      save_string_xyz( (Molecule)arg1) -> str :
         |          Saves the string of an XYZ file to arg2
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > save_string_xyz(psi::Molecule {lvalue})
         |
         |  save_string_xyz_file(...)
         |      save_string_xyz_file( (Molecule)arg1) -> str :
         |          Saves an XYZ file to arg2
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > save_string_xyz_file(psi::Molecule {lvalue})
         |
         |  save_to_checkpoint(...)
         |      save_to_checkpoint( (Molecule)arg1, (Checkpoint)arg2, (str)arg3) -> None :
         |          Saves molecule information to checkpoint file arg2 with prefix arg3
         |
         |          C++ signature :
         |              void save_to_checkpoint(psi::Molecule {lvalue},boost::shared_ptr<psi::Chkpt>,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  save_xyz_file(...)
         |      save_xyz_file( (Molecule)arg1, (str)arg2, (bool)arg3) -> None :
         |          Saves an XYZ file to arg2
         |
         |          C++ signature :
         |              void save_xyz_file(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,bool)
         |
         |  schoenflies_symbol(...)
         |      schoenflies_symbol( (Molecule)arg1) -> str :
         |          Returns the Schoenflies symbol
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > schoenflies_symbol(psi::Molecule {lvalue})
         |
         |  set_active_fragment(...)
         |      set_active_fragment( (Molecule)arg1, (int)arg2) -> None :
         |          Sets the specified fragment arg2 to be Real
         |
         |          C++ signature :
         |              void set_active_fragment(psi::Molecule {lvalue},int)
         |
         |  set_active_fragments(...)
         |      set_active_fragments( (Molecule)arg1, (list)arg2) -> None :
         |          Sets the specified list arg2 of fragments to be Real
         |
         |          C++ signature :
         |              void set_active_fragments(psi::Molecule {lvalue},boost::python::list)
         |
         |  set_basis_all_atoms(...)
         |      set_basis_all_atoms( (Molecule)arg1, (str)arg2, (str)arg3) -> None :
         |          Sets basis set arg2 to all atoms
         |
         |          C++ signature :
         |              void set_basis_all_atoms(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_basis_by_label(...)
         |      set_basis_by_label( (Molecule)arg1, (str)arg2, (str)arg3, (str)arg4) -> None :
         |          Sets basis set arg3 to all atoms with label (e.g., H4) arg2
         |
         |          C++ signature :
         |              void set_basis_by_label(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_basis_by_symbol(...)
         |      set_basis_by_symbol( (Molecule)arg1, (str)arg2, (str)arg3, (str)arg4) -> None :
         |          Sets basis set arg3 to all atoms with symbol (e.g., H) arg2
         |
         |          C++ signature :
         |              void set_basis_by_symbol(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_geometry(...)
         |      set_geometry( (Molecule)arg1, (Matrix)arg2) -> None :
         |          Sets the geometry, given a (Natom X 3) matrix arg2 of coordinates (in Bohr)
         |
         |          C++ signature :
         |              void set_geometry(psi::Molecule {lvalue},psi::Matrix)
         |
         |  set_ghost_fragment(...)
         |      set_ghost_fragment( (Molecule)arg1, (int)arg2) -> None :
         |          Sets the specified fragment arg2 to be Ghost
         |
         |          C++ signature :
         |              void set_ghost_fragment(psi::Molecule {lvalue},int)
         |
         |  set_ghost_fragments(...)
         |      set_ghost_fragments( (Molecule)arg1, (list)arg2) -> None :
         |          Sets the specified list arg2 of fragments to be Ghost
         |
         |          C++ signature :
         |              void set_ghost_fragments(psi::Molecule {lvalue},boost::python::list)
         |
         |  set_mass(...)
         |      set_mass( (Molecule)arg1, (int)arg2, (float)arg3) -> None :
         |          Gets mass of atom arg2
         |
         |          C++ signature :
         |              void set_mass(psi::Molecule {lvalue},int,double)
         |
         |  set_molecular_charge(...)
         |      set_molecular_charge( (Molecule)arg1, (int)arg2) -> None :
         |          Sets the molecular charge
         |
         |          C++ signature :
         |              void set_molecular_charge(psi::Molecule {lvalue},int)
         |
         |  set_multiplicity(...)
         |      set_multiplicity( (Molecule)arg1, (int)arg2) -> None :
         |          Sets the multiplicity (defined as 2Ms + 1)
         |
         |          C++ signature :
         |              void set_multiplicity(psi::Molecule {lvalue},int)
         |
         |  set_name(...)
         |      set_name( (Molecule)arg1, (str)arg2) -> None :
         |          Sets molecule name
         |
         |          C++ signature :
         |              void set_name(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_point_group(...)
         |      set_point_group( (Molecule)arg1, (PointGroup)arg2) -> None :
         |          Sets the molecular point group to the point group object arg2
         |
         |          C++ signature :
         |              void set_point_group(psi::Molecule {lvalue},boost::shared_ptr<psi::PointGroup>)
         |
         |  set_variable(...)
         |      set_variable( (Molecule)arg1, (str)arg2, (float)arg3) -> None :
         |          Assigns the value arg3 to the variable arg2 in the list of geometry variables, then calls update_geometry()
         |
         |          C++ signature :
         |              void set_variable(psi::Molecule {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double)
         |
         |  symbol(...)
         |      symbol( (Molecule)arg1, (int)arg2) -> str :
         |          Gets the cleaned up label of atom arg2 (C2 => C, H4 = H)
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > symbol(psi::Molecule {lvalue},int)
         |
         |  symmetrize(...)
         |      symmetrize( (Molecule)arg1, (float)arg2) -> None :
         |          Finds the highest point Abelian point group within the specified tolerance, and forces the geometry to have that symmetry.
         |
         |          C++ signature :
         |              void symmetrize(psi::Molecule {lvalue},double)
         |
         |  translate(...)
         |      translate( (Molecule)arg1, (Vector3)arg2) -> None :
         |          Translates molecule by arg2
         |
         |          C++ signature :
         |              void translate(psi::Molecule {lvalue},psi::Vector3)
         |
         |  update_geometry(...)
         |      update_geometry( (Molecule)arg1) -> None :
         |          Reevaluates the geometry with current variable values, orientation directives, etc. Must be called after initial Molecule definition by string.
         |
         |          C++ signature :
         |              void update_geometry(psi::Molecule {lvalue})
         |
         |  x(...)
         |      x( (Molecule)arg1, (int)arg2) -> float :
         |          x position of atom
         |
         |          C++ signature :
         |              double x(psi::Molecule {lvalue},int)
         |
         |  y(...)
         |      y( (Molecule)arg1, (int)arg2) -> float :
         |          y position of atom
         |
         |          C++ signature :
         |              double y(psi::Molecule {lvalue},int)
         |
         |  z(...)
         |      z( (Molecule)arg1, (int)arg2) -> float :
         |          z position of atom
         |
         |          C++ signature :
         |              double z(psi::Molecule {lvalue},int)
         |
         |  ----------------------------------------------------------------------
         |  Static methods defined here:
         |
         |  create_molecule_from_string(...)
         |      create_molecule_from_string( (str)arg1) -> Molecule :
         |          Returns a new Molecule with member data from the geometry string arg1 in psi4 format
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Molecule> create_molecule_from_string(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors defined here:
         |
         |  units
         |      Units (Angstrom or Bohr) used to define the geometry
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class MultipoleInt(OneBodyAOInt)
         |  docstring
         |
         |  Method resolution order:
         |      MultipoleInt
         |      OneBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from OneBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_shell(psi::OneBodyAOInt {lvalue},int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from OneBodyAOInt:
         |
         |  basis
         |      The basis set on center one
         |
         |  basis1
         |      The basis set on center one
         |
         |  basis2
         |      The basis set on center two
         |
         |  origin
         |      The origin about which the one body ints are being computed.
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class MultipoleSymmetry(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      MultipoleSymmetry
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1, (int)arg2, (Molecule)arg3, (IntegralFactory)arg4, (MatrixFactory)arg5) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,int,boost::shared_ptr<psi::Molecule>,boost::shared_ptr<psi::IntegralFactory>,boost::shared_ptr<psi::MatrixFactory>)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  create_matrices(...)
         |      create_matrices( (MultipoleSymmetry)arg1, (str)arg2) -> matrix_vector :
         |          docstring
         |
         |          C++ signature :
         |              std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > create_matrices(psi::OperatorSymmetry {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class NBOWriter(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      NBOWriter
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1, (Wavefunction)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,boost::shared_ptr<psi::Wavefunction>)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  write(...)
         |      write( (NBOWriter)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void write(psi::NBOWriter {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class NablaInt(OneBodyAOInt)
         |  docstring
         |
         |  Method resolution order:
         |      NablaInt
         |      OneBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from OneBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_shell(psi::OneBodyAOInt {lvalue},int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from OneBodyAOInt:
         |
         |  basis
         |      The basis set on center one
         |
         |  basis1
         |      The basis set on center one
         |
         |  basis2
         |      The basis set on center two
         |
         |  origin
         |      The origin about which the one body ints are being computed.
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class OEProp(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      OEProp
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  add(...)
         |      add( (OEProp)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void add(psi::OEProp {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  compute(...)
         |      compute( (OEProp)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute(psi::OEProp {lvalue})
         |
         |  set_title(...)
         |      set_title( (OEProp)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_title(psi::OEProp {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class OneBodyAOInt(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      OneBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  compute_shell(...)
         |      compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_shell(psi::OneBodyAOInt {lvalue},int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors defined here:
         |
         |  basis
         |      The basis set on center one
         |
         |  basis1
         |      The basis set on center one
         |
         |  basis2
         |      The basis set on center two
         |
         |  origin
         |      The origin about which the one body ints are being computed.
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class OrbitalSpace(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      OrbitalSpace
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  C(...)
         |      C( (OrbitalSpace)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> C(psi::OrbitalSpace {lvalue})
         |
         |  __init__(...)
         |      __init__( (object)arg1, (str)arg2, (str)arg3, (Matrix)arg4, (Vector)arg5, (BasisSet)arg6, (IntegralFactory)arg7) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::IntegralFactory>)
         |
         |      __init__( (object)arg1, (str)arg2, (str)arg3, (Matrix)arg4, (BasisSet)arg5, (IntegralFactory)arg6) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::shared_ptr<psi::Matrix>,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::IntegralFactory>)
         |
         |      __init__( (object)arg1, (str)arg2, (str)arg3, (Wavefunction)arg4) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::shared_ptr<psi::Wavefunction>)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  basisset(...)
         |      basisset( (OrbitalSpace)arg1) -> BasisSet :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::BasisSet> basisset(psi::OrbitalSpace {lvalue})
         |
         |  dim(...)
         |      dim( (OrbitalSpace)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension dim(psi::OrbitalSpace {lvalue})
         |
         |  evals(...)
         |      evals( (OrbitalSpace)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> evals(psi::OrbitalSpace {lvalue})
         |
         |  id(...)
         |      id( (OrbitalSpace)arg1) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > id(psi::OrbitalSpace {lvalue})
         |
         |  integral(...)
         |      integral( (OrbitalSpace)arg1) -> IntegralFactory :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::IntegralFactory> integral(psi::OrbitalSpace {lvalue})
         |
         |  name(...)
         |      name( (OrbitalSpace)arg1) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > name(psi::OrbitalSpace {lvalue})
         |
         |  nirrep(...)
         |      nirrep( (OrbitalSpace)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nirrep(psi::OrbitalSpace {lvalue})
         |
         |  print_out(...)
         |      print_out( (OrbitalSpace)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_out(psi::OrbitalSpace {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Static methods defined here:
         |
         |  build_cabs_space(...)
         |      build_cabs_space( (OrbitalSpace)arg1, (OrbitalSpace)arg2, (float)arg3) -> OrbitalSpace :
         |          docstring
         |
         |          C++ signature :
         |              psi::OrbitalSpace build_cabs_space(psi::OrbitalSpace,psi::OrbitalSpace,double)
         |
         |  build_ri_space(...)
         |      build_ri_space( (Molecule)arg1, (str)arg2, (str)arg3, (float)arg4) -> OrbitalSpace :
         |          docstring
         |
         |          C++ signature :
         |              psi::OrbitalSpace build_ri_space(boost::shared_ptr<psi::Molecule>,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class OverlapInt(OneBodyAOInt)
         |  docstring
         |
         |  Method resolution order:
         |      OverlapInt
         |      OneBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from OneBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_shell(psi::OneBodyAOInt {lvalue},int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from OneBodyAOInt:
         |
         |  basis
         |      The basis set on center one
         |
         |  basis1
         |      The basis set on center one
         |
         |  basis2
         |      The basis set on center two
         |
         |  origin
         |      The origin about which the one body ints are being computed.
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class PMLocalizer(Localizer)
         |  docstring
         |
         |  Method resolution order:
         |      PMLocalizer
         |      Localizer
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from Localizer:
         |
         |  localize(...)
         |      localize( (Localizer)arg1) -> None :
         |          Perform the localization procedure
         |
         |          C++ signature :
         |              void localize(psi::Localizer {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Static methods inherited from Localizer:
         |
         |  build(...)
         |      build( (str)arg1, (BasisSet)arg2, (Matrix)arg3) -> Localizer :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Localizer> build(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::shared_ptr<psi::BasisSet>,boost::shared_ptr<psi::Matrix>)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Localizer:
         |
         |  L
         |      Localized orbital coefficients
         |
         |  U
         |      Orbital rotation matrix
         |
         |  converged
         |      Did the localization procedure converge?
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class PetiteList(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      PetiteList
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  aotoso(...)
         |      aotoso( (PetiteList)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> aotoso(psi::PetiteList {lvalue})
         |
         |  print(...)
         |      print( (PetiteList)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print(psi::PetiteList {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  sotoao(...)
         |      sotoao( (PetiteList)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> sotoao(psi::PetiteList {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class PointGroup(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      PointGroup
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |      __init__( (object)arg1, (str)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  symbol(...)
         |      symbol( (PointGroup)arg1) -> str :
         |          Returns Schoenflies symbol for point group
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > symbol(psi::PointGroup {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class PotentialInt(OneBodyAOInt)
         |  docstring
         |
         |  Method resolution order:
         |      PotentialInt
         |      OneBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from OneBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_shell(psi::OneBodyAOInt {lvalue},int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from OneBodyAOInt:
         |
         |  basis
         |      The basis set on center one
         |
         |  basis1
         |      The basis set on center one
         |
         |  basis2
         |      The basis set on center two
         |
         |  origin
         |      The origin about which the one body ints are being computed.
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class Process(Boost.Python.instance)
         |  Method resolution order:
         |      Process
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors defined here:
         |
         |  environment
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 24
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class PseudoTrial(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      PseudoTrial
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  getA(...)
         |      getA( (PseudoTrial)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> getA(psi::PseudoTrial {lvalue})
         |
         |  getI(...)
         |      getI( (PseudoTrial)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> getI(psi::PseudoTrial {lvalue})
         |
         |  getIPS(...)
         |      getIPS( (PseudoTrial)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> getIPS(psi::PseudoTrial {lvalue})
         |
         |  getQ(...)
         |      getQ( (PseudoTrial)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> getQ(psi::PseudoTrial {lvalue})
         |
         |  getR(...)
         |      getR( (PseudoTrial)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> getR(psi::PseudoTrial {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class PseudospectralInt(OneBodyAOInt)
         |  docstring
         |
         |  Method resolution order:
         |      PseudospectralInt
         |      OneBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from OneBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_shell(psi::OneBodyAOInt {lvalue},int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from OneBodyAOInt:
         |
         |  basis
         |      The basis set on center one
         |
         |  basis1
         |      The basis set on center one
         |
         |  basis2
         |      The basis set on center two
         |
         |  origin
         |      The origin about which the one body ints are being computed.
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class PsiReturnType(Boost.Python.enum)
         |  docstring
         |
         |  Method resolution order:
         |      PsiReturnType
         |      Boost.Python.enum
         |      __builtin__.int
         |      __builtin__.object
         |
         |  Data and other attributes defined here:
         |
         |  Balk = psi4.PsiReturnType.Balk
         |
         |  EndLoop = psi4.PsiReturnType.EndLoop
         |
         |  Failure = psi4.PsiReturnType.Failure
         |
         |  Success = psi4.PsiReturnType.Success
         |
         |  names = {'Balk': psi4.PsiReturnType.Balk, 'EndLoop': psi4.PsiReturnTyp...
         |
         |  values = {0: psi4.PsiReturnType.Success, 1: psi4.PsiReturnType.Failure...
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from Boost.Python.enum:
         |
         |  __repr__(...)
         |      x.__repr__() <==> repr(x)
         |
         |  __str__(...)
         |      x.__str__() <==> str(x)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.enum:
         |
         |  name
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from __builtin__.int:
         |
         |  __abs__(...)
         |      x.__abs__() <==> abs(x)
         |
         |  __add__(...)
         |      x.__add__(y) <==> x+y
         |
         |  __and__(...)
         |      x.__and__(y) <==> x&y
         |
         |  __cmp__(...)
         |      x.__cmp__(y) <==> cmp(x,y)
         |
         |  __coerce__(...)
         |      x.__coerce__(y) <==> coerce(x, y)
         |
         |  __div__(...)
         |      x.__div__(y) <==> x/y
         |
         |  __divmod__(...)
         |      x.__divmod__(y) <==> divmod(x, y)
         |
         |  __float__(...)
         |      x.__float__() <==> float(x)
         |
         |  __floordiv__(...)
         |      x.__floordiv__(y) <==> x//y
         |
         |  __format__(...)
         |
         |  __getattribute__(...)
         |      x.__getattribute__('name') <==> x.name
         |
         |  __getnewargs__(...)
         |
         |  __hash__(...)
         |      x.__hash__() <==> hash(x)
         |
         |  __hex__(...)
         |      x.__hex__() <==> hex(x)
         |
         |  __index__(...)
         |      x[y:z] <==> x[y.__index__():z.__index__()]
         |
         |  __int__(...)
         |      x.__int__() <==> int(x)
         |
         |  __invert__(...)
         |      x.__invert__() <==> ~x
         |
         |  __long__(...)
         |      x.__long__() <==> long(x)
         |
         |  __lshift__(...)
         |      x.__lshift__(y) <==> x<<y
         |
         |  __mod__(...)
         |      x.__mod__(y) <==> x%y
         |
         |  __mul__(...)
         |      x.__mul__(y) <==> x*y
         |
         |  __neg__(...)
         |      x.__neg__() <==> -x
         |
         |  __nonzero__(...)
         |      x.__nonzero__() <==> x != 0
         |
         |  __oct__(...)
         |      x.__oct__() <==> oct(x)
         |
         |  __or__(...)
         |      x.__or__(y) <==> x|y
         |
         |  __pos__(...)
         |      x.__pos__() <==> +x
         |
         |  __pow__(...)
         |      x.__pow__(y[, z]) <==> pow(x, y[, z])
         |
         |  __radd__(...)
         |      x.__radd__(y) <==> y+x
         |
         |  __rand__(...)
         |      x.__rand__(y) <==> y&x
         |
         |  __rdiv__(...)
         |      x.__rdiv__(y) <==> y/x
         |
         |  __rdivmod__(...)
         |      x.__rdivmod__(y) <==> divmod(y, x)
         |
         |  __rfloordiv__(...)
         |      x.__rfloordiv__(y) <==> y//x
         |
         |  __rlshift__(...)
         |      x.__rlshift__(y) <==> y<<x
         |
         |  __rmod__(...)
         |      x.__rmod__(y) <==> y%x
         |
         |  __rmul__(...)
         |      x.__rmul__(y) <==> y*x
         |
         |  __ror__(...)
         |      x.__ror__(y) <==> y|x
         |
         |  __rpow__(...)
         |      y.__rpow__(x[, z]) <==> pow(x, y[, z])
         |
         |  __rrshift__(...)
         |      x.__rrshift__(y) <==> y>>x
         |
         |  __rshift__(...)
         |      x.__rshift__(y) <==> x>>y
         |
         |  __rsub__(...)
         |      x.__rsub__(y) <==> y-x
         |
         |  __rtruediv__(...)
         |      x.__rtruediv__(y) <==> y/x
         |
         |  __rxor__(...)
         |      x.__rxor__(y) <==> y^x
         |
         |  __sub__(...)
         |      x.__sub__(y) <==> x-y
         |
         |  __truediv__(...)
         |      x.__truediv__(y) <==> x/y
         |
         |  __trunc__(...)
         |      Truncating an Integral returns itself.
         |
         |  __xor__(...)
         |      x.__xor__(y) <==> x^y
         |
         |  bit_length(...)
         |      int.bit_length() -> int
         |
         |      Number of bits necessary to represent self in binary.
         |      >>> bin(37)
         |      '0b100101'
         |      >>> (37).bit_length()
         |      6
         |
         |  conjugate(...)
         |      Returns self, the complex conjugate of any int.
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from __builtin__.int:
         |
         |  denominator
         |      the denominator of a rational number in lowest terms
         |
         |  imag
         |      the imaginary part of a complex number
         |
         |  numerator
         |      the numerator of a rational number in lowest terms
         |
         |  real
         |      the real part of a complex number
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from __builtin__.int:
         |
         |  __new__ = <built-in method __new__ of type object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class Psi_Numpy_Interface(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      Psi_Numpy_Interface
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors defined here:
         |
         |  __array_interface__
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class QuadrupoleInt(OneBodyAOInt)
         |  docstring
         |
         |  Method resolution order:
         |      QuadrupoleInt
         |      OneBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from OneBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_shell(psi::OneBodyAOInt {lvalue},int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from OneBodyAOInt:
         |
         |  basis
         |      The basis set on center one
         |
         |  basis1
         |      The basis set on center one
         |
         |  basis2
         |      The basis set on center two
         |
         |  origin
         |      The origin about which the one body ints are being computed.
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class RHF(HF, Wavefunction)
         |  docstring
         |
         |  Method resolution order:
         |      RHF
         |      HF
         |      Wavefunction
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from Wavefunction:
         |
         |  Ca(...)
         |      Ca( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Ca(psi::Wavefunction {lvalue})
         |
         |  Ca_subset(...)
         |      Ca_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Ca_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  Cb(...)
         |      Cb( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Cb(psi::Wavefunction {lvalue})
         |
         |  Cb_subset(...)
         |      Cb_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Cb_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  Da(...)
         |      Da( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Da(psi::Wavefunction {lvalue})
         |
         |  Db(...)
         |      Db( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Db(psi::Wavefunction {lvalue})
         |
         |  Fa(...)
         |      Fa( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Fa(psi::Wavefunction {lvalue})
         |
         |  Fb(...)
         |      Fb( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Fb(psi::Wavefunction {lvalue})
         |
         |  TPDM(...)
         |      TPDM( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> TPDM(psi::Wavefunction {lvalue})
         |
         |  X(...)
         |      X( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> X(psi::Wavefunction {lvalue})
         |
         |  add_postiteration_callback(...)
         |      add_postiteration_callback( (Wavefunction)arg1, (object)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void add_postiteration_callback(psi::Wavefunction {lvalue},_object*)
         |
         |  add_preiteration_callback(...)
         |      add_preiteration_callback( (Wavefunction)arg1, (object)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void add_preiteration_callback(psi::Wavefunction {lvalue},_object*)
         |
         |  alpha_orbital_space(...)
         |      alpha_orbital_space( (Wavefunction)arg1, (str)arg2, (str)arg3, (str)arg4) -> OrbitalSpace :
         |          docstring
         |
         |          C++ signature :
         |              psi::OrbitalSpace alpha_orbital_space(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  aotoso(...)
         |      aotoso( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> aotoso(psi::Wavefunction {lvalue})
         |
         |  atomic_point_charges(...)
         |      atomic_point_charges( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> atomic_point_charges(psi::Wavefunction {lvalue})
         |
         |  basisset(...)
         |      basisset( (Wavefunction)arg1) -> BasisSet :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::BasisSet> basisset(psi::Wavefunction {lvalue})
         |
         |  beta_orbital_space(...)
         |      beta_orbital_space( (Wavefunction)arg1, (str)arg2, (str)arg3, (str)arg4) -> OrbitalSpace :
         |          docstring
         |
         |          C++ signature :
         |              psi::OrbitalSpace beta_orbital_space(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  doccpi(...)
         |      doccpi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension doccpi(psi::Wavefunction {lvalue})
         |
         |  energy(...)
         |      energy( (Wavefunction)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double energy(psi::Wavefunction {lvalue})
         |
         |  epsilon_a(...)
         |      epsilon_a( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> epsilon_a(psi::Wavefunction {lvalue})
         |
         |  epsilon_a_subset(...)
         |      epsilon_a_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> epsilon_a_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  epsilon_b(...)
         |      epsilon_b( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> epsilon_b(psi::Wavefunction {lvalue})
         |
         |  epsilon_b_subset(...)
         |      epsilon_b_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> epsilon_b_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  frequencies(...)
         |      frequencies( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> frequencies(psi::Wavefunction {lvalue})
         |
         |  frzcpi(...)
         |      frzcpi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension frzcpi(psi::Wavefunction {lvalue})
         |
         |  frzvpi(...)
         |      frzvpi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension frzvpi(psi::Wavefunction {lvalue})
         |
         |  gradient(...)
         |      gradient( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> gradient(psi::Wavefunction {lvalue})
         |
         |  molecule(...)
         |      molecule( (Wavefunction)arg1) -> Molecule :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Molecule> molecule(psi::Wavefunction {lvalue})
         |
         |  nalpha(...)
         |      nalpha( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nalpha(psi::Wavefunction {lvalue})
         |
         |      nalpha( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nalpha(psi::Wavefunction {lvalue})
         |
         |  nalphapi(...)
         |      nalphapi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension nalphapi(psi::Wavefunction {lvalue})
         |
         |  nbeta(...)
         |      nbeta( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nbeta(psi::Wavefunction {lvalue})
         |
         |      nbeta( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nbeta(psi::Wavefunction {lvalue})
         |
         |  nbetapi(...)
         |      nbetapi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension nbetapi(psi::Wavefunction {lvalue})
         |
         |  nfrzc(...)
         |      nfrzc( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nfrzc(psi::Wavefunction {lvalue})
         |
         |  nirrep(...)
         |      nirrep( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nirrep(psi::Wavefunction {lvalue})
         |
         |  nmo(...)
         |      nmo( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nmo(psi::Wavefunction {lvalue})
         |
         |  nmopi(...)
         |      nmopi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension nmopi(psi::Wavefunction {lvalue})
         |
         |  normalmodes(...)
         |      normalmodes( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> normalmodes(psi::Wavefunction {lvalue})
         |
         |  nso(...)
         |      nso( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nso(psi::Wavefunction {lvalue})
         |
         |  nsopi(...)
         |      nsopi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension nsopi(psi::Wavefunction {lvalue})
         |
         |  sobasisset(...)
         |      sobasisset( (Wavefunction)arg1) -> SOBasisSet :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::SOBasisSet> sobasisset(psi::Wavefunction {lvalue})
         |
         |  soccpi(...)
         |      soccpi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension soccpi(psi::Wavefunction {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class SOBasisSet(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      SOBasisSet
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  petite_list(...)
         |      petite_list( (SOBasisSet)arg1) -> PetiteList :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::PetiteList> petite_list(psi::SOBasisSet {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class SuperFunctional(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      SuperFunctional
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  add_c_functional(...)
         |      add_c_functional( (SuperFunctional)arg1, (Functional)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void add_c_functional(psi::SuperFunctional {lvalue},boost::shared_ptr<psi::Functional>)
         |
         |  add_x_functional(...)
         |      add_x_functional( (SuperFunctional)arg1, (Functional)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void add_x_functional(psi::SuperFunctional {lvalue},boost::shared_ptr<psi::Functional>)
         |
         |  allocate(...)
         |      allocate( (SuperFunctional)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void allocate(psi::SuperFunctional {lvalue})
         |
         |  ansatz(...)
         |      ansatz( (SuperFunctional)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int ansatz(psi::SuperFunctional {lvalue})
         |
         |  c_alpha(...)
         |      c_alpha( (SuperFunctional)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double c_alpha(psi::SuperFunctional {lvalue})
         |
         |  c_functional(...)
         |      c_functional( (SuperFunctional)arg1, (str)arg2) -> Functional :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Functional> c_functional(psi::SuperFunctional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  c_omega(...)
         |      c_omega( (SuperFunctional)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double c_omega(psi::SuperFunctional {lvalue})
         |
         |  c_os_alpha(...)
         |      c_os_alpha( (SuperFunctional)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double c_os_alpha(psi::SuperFunctional {lvalue})
         |
         |  c_ss_alpha(...)
         |      c_ss_alpha( (SuperFunctional)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double c_ss_alpha(psi::SuperFunctional {lvalue})
         |
         |  citation(...)
         |      citation( (SuperFunctional)arg1) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > citation(psi::SuperFunctional {lvalue})
         |
         |  deriv(...)
         |      deriv( (SuperFunctional)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int deriv(psi::SuperFunctional {lvalue})
         |
         |  description(...)
         |      description( (SuperFunctional)arg1) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > description(psi::SuperFunctional {lvalue})
         |
         |  dispersion(...)
         |      dispersion( (SuperFunctional)arg1) -> Dispersion :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Dispersion> dispersion(psi::SuperFunctional {lvalue})
         |
         |  is_c_hybrid(...)
         |      is_c_hybrid( (SuperFunctional)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_c_hybrid(psi::SuperFunctional {lvalue})
         |
         |  is_c_lrc(...)
         |      is_c_lrc( (SuperFunctional)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_c_lrc(psi::SuperFunctional {lvalue})
         |
         |  is_c_scs_hybrid(...)
         |      is_c_scs_hybrid( (SuperFunctional)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_c_scs_hybrid(psi::SuperFunctional {lvalue})
         |
         |  is_gga(...)
         |      is_gga( (SuperFunctional)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_gga(psi::SuperFunctional {lvalue})
         |
         |  is_meta(...)
         |      is_meta( (SuperFunctional)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_meta(psi::SuperFunctional {lvalue})
         |
         |  is_x_hybrid(...)
         |      is_x_hybrid( (SuperFunctional)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_x_hybrid(psi::SuperFunctional {lvalue})
         |
         |  is_x_lrc(...)
         |      is_x_lrc( (SuperFunctional)arg1) -> bool :
         |          docstring
         |
         |          C++ signature :
         |              bool is_x_lrc(psi::SuperFunctional {lvalue})
         |
         |  max_points(...)
         |      max_points( (SuperFunctional)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int max_points(psi::SuperFunctional {lvalue})
         |
         |  name(...)
         |      name( (SuperFunctional)arg1) -> str :
         |          docstring
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > name(psi::SuperFunctional {lvalue})
         |
         |  print_detail(...)
         |      print_detail( (SuperFunctional)arg1, (int)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_detail(psi::SuperFunctional {lvalue},int)
         |
         |  print_out(...)
         |      print_out( (SuperFunctional)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_out(psi::SuperFunctional {lvalue})
         |
         |  set_c_alpha(...)
         |      set_c_alpha( (SuperFunctional)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_c_alpha(psi::SuperFunctional {lvalue},double)
         |
         |  set_c_omega(...)
         |      set_c_omega( (SuperFunctional)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_c_omega(psi::SuperFunctional {lvalue},double)
         |
         |  set_c_os_alpha(...)
         |      set_c_os_alpha( (SuperFunctional)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_c_os_alpha(psi::SuperFunctional {lvalue},double)
         |
         |  set_c_ss_alpha(...)
         |      set_c_ss_alpha( (SuperFunctional)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_c_ss_alpha(psi::SuperFunctional {lvalue},double)
         |
         |  set_citation(...)
         |      set_citation( (SuperFunctional)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_citation(psi::SuperFunctional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_deriv(...)
         |      set_deriv( (SuperFunctional)arg1, (int)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_deriv(psi::SuperFunctional {lvalue},int)
         |
         |  set_description(...)
         |      set_description( (SuperFunctional)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_description(psi::SuperFunctional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_dispersion(...)
         |      set_dispersion( (SuperFunctional)arg1, (Dispersion)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_dispersion(psi::SuperFunctional {lvalue},boost::shared_ptr<psi::Dispersion>)
         |
         |  set_max_points(...)
         |      set_max_points( (SuperFunctional)arg1, (int)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_max_points(psi::SuperFunctional {lvalue},int)
         |
         |  set_name(...)
         |      set_name( (SuperFunctional)arg1, (str)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_name(psi::SuperFunctional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  set_x_alpha(...)
         |      set_x_alpha( (SuperFunctional)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_x_alpha(psi::SuperFunctional {lvalue},double)
         |
         |  set_x_omega(...)
         |      set_x_omega( (SuperFunctional)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_x_omega(psi::SuperFunctional {lvalue},double)
         |
         |  test_functional(...)
         |      test_functional( (SuperFunctional)arg1, (Vector)arg2, (Vector)arg3, (Vector)arg4, (Vector)arg5, (Vector)arg6, (Vector)arg7, (Vector)arg8) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void test_functional(psi::SuperFunctional {lvalue},boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>)
         |
         |  value(...)
         |      value( (SuperFunctional)arg1, (str)arg2) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> value(psi::SuperFunctional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  x_alpha(...)
         |      x_alpha( (SuperFunctional)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double x_alpha(psi::SuperFunctional {lvalue})
         |
         |  x_functional(...)
         |      x_functional( (SuperFunctional)arg1, (str)arg2) -> Functional :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Functional> x_functional(psi::SuperFunctional {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  x_omega(...)
         |      x_omega( (SuperFunctional)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double x_omega(psi::SuperFunctional {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Static methods defined here:
         |
         |  blank(...)
         |      blank() -> SuperFunctional :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::SuperFunctional> blank()
         |
         |  build(...)
         |      build( (str)arg1, (int)arg2, (int)arg3) -> SuperFunctional :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::SuperFunctional> build(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,int,int)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class SymmetryOperation(Boost.Python.instance)
         |  Class to provide a 3 by 3 matrix representation of a symmetry operation, such as a rotation or reflection.
         |
         |  Method resolution order:
         |      SymmetryOperation
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  E(...)
         |      E( (SymmetryOperation)arg1) -> None :
         |          Set equal to E
         |
         |          C++ signature :
         |              void E(psi::SymmetryOperation {lvalue})
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |      __init__( (object)arg1, (SymmetryOperation)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,psi::SymmetryOperation)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  c2_x(...)
         |      c2_x( (SymmetryOperation)arg1) -> None :
         |          Set equal to C2 about the x axis
         |
         |          C++ signature :
         |              void c2_x(psi::SymmetryOperation {lvalue})
         |
         |  c2_y(...)
         |      c2_y( (SymmetryOperation)arg1) -> None :
         |          Set equal to C2 about the y axis
         |
         |          C++ signature :
         |              void c2_y(psi::SymmetryOperation {lvalue})
         |
         |  c2_z(...)
         |      c2_z( (SymmetryOperation)arg1) -> None :
         |          Set equal to C2 about the z axis
         |
         |          C++ signature :
         |              void c2_z(psi::SymmetryOperation {lvalue})
         |
         |  i(...)
         |      i( (SymmetryOperation)arg1) -> None :
         |          Set equal to an inversion
         |
         |          C++ signature :
         |              void i(psi::SymmetryOperation {lvalue})
         |
         |  operate(...)
         |      operate( (SymmetryOperation)arg1, (SymmetryOperation)arg2) -> SymmetryOperation :
         |          Performs the operation arg2 * arg1
         |
         |          C++ signature :
         |              psi::SymmetryOperation operate(psi::SymmetryOperation {lvalue},psi::SymmetryOperation)
         |
         |  rotate_n(...)
         |      rotate_n( (SymmetryOperation)arg1, (int)arg2) -> None :
         |          Set equal to a clockwise rotation by 2pi/n
         |
         |          C++ signature :
         |              void rotate_n(psi::SymmetryOperation {lvalue},int)
         |
         |  rotate_theta(...)
         |      rotate_theta( (SymmetryOperation)arg1, (float)arg2) -> None :
         |          Set equal to a clockwise rotation by theta
         |
         |          C++ signature :
         |              void rotate_theta(psi::SymmetryOperation {lvalue},double)
         |
         |  sigma_xy(...)
         |      sigma_xy( (SymmetryOperation)arg1) -> None :
         |          Set equal to reflection in xy plane
         |
         |          C++ signature :
         |              void sigma_xy(psi::SymmetryOperation {lvalue})
         |
         |  sigma_xz(...)
         |      sigma_xz( (SymmetryOperation)arg1) -> None :
         |          Set equal to reflection in xz plane
         |
         |          C++ signature :
         |              void sigma_xz(psi::SymmetryOperation {lvalue})
         |
         |  sigma_yz(...)
         |      sigma_yz( (SymmetryOperation)arg1) -> None :
         |          Set equal to reflection in yz plane
         |
         |          C++ signature :
         |              void sigma_yz(psi::SymmetryOperation {lvalue})
         |
         |  trace(...)
         |      trace( (SymmetryOperation)arg1) -> float :
         |          Returns trace of transformation matrix
         |
         |          C++ signature :
         |              double trace(psi::SymmetryOperation {lvalue})
         |
         |  transform(...)
         |      transform( (SymmetryOperation)arg1, (SymmetryOperation)arg2) -> SymmetryOperation :
         |          Performs the transform arg2 * arg1 * arg2~
         |
         |          C++ signature :
         |              psi::SymmetryOperation transform(psi::SymmetryOperation {lvalue},psi::SymmetryOperation)
         |
         |  transpose(...)
         |      transpose( (SymmetryOperation)arg1) -> None :
         |          Performs transposition of matrix operation
         |
         |          C++ signature :
         |              void transpose(psi::SymmetryOperation {lvalue})
         |
         |  unit(...)
         |      unit( (SymmetryOperation)arg1) -> None :
         |          Set equal to a unit matrix
         |
         |          C++ signature :
         |              void unit(psi::SymmetryOperation {lvalue})
         |
         |  zero(...)
         |      zero( (SymmetryOperation)arg1) -> None :
         |          Zero out the symmetry operation
         |
         |          C++ signature :
         |              void zero(psi::SymmetryOperation {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 96
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class ThreeCenterOverlapInt(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      ThreeCenterOverlapInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  compute_shell(...)
         |      compute_shell( (ThreeCenterOverlapInt)arg1, (int)arg2, (int)arg3, (int)arg4) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_shell(psi::ThreeCenterOverlapInt {lvalue},int,int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (ThreeCenterOverlapInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::ThreeCenterOverlapInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors defined here:
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class TracelessQuadrupoleInt(OneBodyAOInt)
         |  docstring
         |
         |  Method resolution order:
         |      TracelessQuadrupoleInt
         |      OneBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from OneBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (OneBodyAOInt)arg1, (int)arg2, (int)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void compute_shell(psi::OneBodyAOInt {lvalue},int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (OneBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::OneBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from OneBodyAOInt:
         |
         |  basis
         |      The basis set on center one
         |
         |  basis1
         |      The basis set on center one
         |
         |  basis2
         |      The basis set on center two
         |
         |  origin
         |      The origin about which the one body ints are being computed.
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class TwoBodyAOInt(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      TwoBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  compute_shell(...)
         |      compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :
         |          docstring
         |
         |          C++ signature :
         |              unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors defined here:
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class TwoElectronInt(TwoBodyAOInt)
         |  docstring
         |
         |  Method resolution order:
         |      TwoElectronInt
         |      TwoBodyAOInt
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Methods inherited from TwoBodyAOInt:
         |
         |  compute_shell(...)
         |      compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :
         |          docstring
         |
         |          C++ signature :
         |              unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)
         |
         |  set_enable_pybuffer(...)
         |      set_enable_pybuffer( (TwoBodyAOInt)arg1, (bool)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set_enable_pybuffer(psi::TwoBodyAOInt {lvalue},bool)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from TwoBodyAOInt:
         |
         |  py_buffer
         |      docstring
         |
         |  py_buffer_object
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class Vector(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      Vector
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __getitem__(...)
         |      __getitem__( (Vector)arg1, (int)arg2) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double __getitem__(psi::Vector {lvalue},int)
         |
         |      __getitem__( (Vector)arg1, (tuple)arg2) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double __getitem__(psi::Vector {lvalue},boost::python::tuple)
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |      __init__( (object)arg1, (int)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,int)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  __setitem__(...)
         |      __setitem__( (Vector)arg1, (int)arg2, (float)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void __setitem__(psi::Vector {lvalue},int,double)
         |
         |      __setitem__( (Vector)arg1, (tuple)arg2, (float)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void __setitem__(psi::Vector {lvalue},boost::python::tuple,double)
         |
         |  array_interfaces(...)
         |      array_interfaces( (Vector)arg1) -> list :
         |          docstring
         |
         |          C++ signature :
         |              boost::python::list array_interfaces(boost::shared_ptr<psi::Vector>)
         |
         |  dim(...)
         |      dim( (Vector)arg1, (int)arg2) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int dim(psi::Vector {lvalue},int)
         |
         |  get(...)
         |      get( (Vector)arg1, (int)arg2) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double get(psi::Vector {lvalue},int)
         |
         |      get( (Vector)arg1, (int)arg2, (int)arg3) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double get(psi::Vector {lvalue},int,int)
         |
         |  nirrep(...)
         |      nirrep( (Vector)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nirrep(psi::Vector {lvalue})
         |
         |  print_out(...)
         |      print_out( (Vector)arg1) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void print_out(psi::Vector {lvalue})
         |
         |  scale(...)
         |      scale( (Vector)arg1, (float)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void scale(psi::Vector {lvalue},double)
         |
         |  set(...)
         |      set( (Vector)arg1, (int)arg2, (float)arg3) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set(psi::Vector {lvalue},int,double)
         |
         |      set( (Vector)arg1, (int)arg2, (int)arg3, (float)arg4) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void set(psi::Vector {lvalue},int,int,double)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors defined here:
         |
         |  __array_interface__
         |      docstring
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 32
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class Vector3(Boost.Python.instance)
         |  Class for vectors of length three, often Cartesian coordinate vectors, and their common operations
         |
         |  Method resolution order:
         |      Vector3
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __add__(...)
         |      __add__( (Vector3)arg1, (Vector3)arg2) -> object :
         |
         |          C++ signature :
         |              _object* __add__(psi::Vector3 {lvalue},psi::Vector3)
         |
         |  __getitem__(...)
         |      __getitem__( (Vector3)arg1, (int)arg2) -> float :
         |          Returns the arg2-th element of arg1.
         |
         |          C++ signature :
         |              double __getitem__(psi::Vector3 {lvalue},int)
         |
         |  __iadd__(...)
         |      __iadd__( (object)arg1, (Vector3)arg2) -> object :
         |
         |          C++ signature :
         |              _object* __iadd__(boost::python::back_reference<psi::Vector3&>,psi::Vector3)
         |
         |  __imul__(...)
         |      __imul__( (object)arg1, (float)arg2) -> object :
         |
         |          C++ signature :
         |              _object* __imul__(boost::python::back_reference<psi::Vector3&>,double)
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |      __init__( (object)arg1, (float)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,double)
         |
         |      __init__( (object)arg1, (float)arg2, (float)arg3, (float)arg4) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,double,double,double)
         |
         |      __init__( (object)arg1, (Vector3)arg2) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,psi::Vector3)
         |
         |  __isub__(...)
         |      __isub__( (object)arg1, (Vector3)arg2) -> object :
         |
         |          C++ signature :
         |              _object* __isub__(boost::python::back_reference<psi::Vector3&>,psi::Vector3)
         |
         |  __neg__(...)
         |      __neg__( (Vector3)arg1) -> object :
         |
         |          C++ signature :
         |              _object* __neg__(psi::Vector3 {lvalue})
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  __str__(...)
         |      __str__( (Vector3)arg1) -> str :
         |          Returns a string representation of arg1, suitable for printing.
         |
         |          C++ signature :
         |              std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > __str__(psi::Vector3 {lvalue})
         |
         |  __sub__(...)
         |      __sub__( (Vector3)arg1, (Vector3)arg2) -> object :
         |
         |          C++ signature :
         |              _object* __sub__(psi::Vector3 {lvalue},psi::Vector3)
         |
         |  cross(...)
         |      cross( (Vector3)arg1, (Vector3)arg2) -> Vector3 :
         |          Returns cross product of arg1 and arg2
         |
         |          C++ signature :
         |              psi::Vector3 cross(psi::Vector3 {lvalue},psi::Vector3)
         |
         |  distance(...)
         |      distance( (Vector3)arg1, (Vector3)arg2) -> float :
         |          Returns distance between two points represented by arg1 and arg2
         |
         |          C++ signature :
         |              double distance(psi::Vector3 {lvalue},psi::Vector3)
         |
         |  dot(...)
         |      dot( (Vector3)arg1, (Vector3)arg2) -> float :
         |          Returns dot product of arg1 and arg2
         |
         |          C++ signature :
         |              double dot(psi::Vector3 {lvalue},psi::Vector3)
         |
         |  norm(...)
         |      norm( (Vector3)arg1) -> float :
         |          Returns Euclidean norm of arg1
         |
         |          C++ signature :
         |              double norm(psi::Vector3 {lvalue})
         |
         |  normalize(...)
         |      normalize( (Vector3)arg1) -> None :
         |          Returns vector of unit length and arg1 direction
         |
         |          C++ signature :
         |              void normalize(psi::Vector3 {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 40
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class View(Boost.Python.instance)
         |  Method resolution order:
         |      View
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __call__(...)
         |      __call__( (View)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> __call__(psi::View {lvalue})
         |
         |  __init__(...)
         |      __init__( (object)arg1, (Matrix)arg2, (Dimension)arg3, (Dimension)arg4) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,boost::shared_ptr<psi::Matrix>,psi::Dimension,psi::Dimension)
         |
         |      __init__( (object)arg1, (Matrix)arg2, (Dimension)arg3, (Dimension)arg4, (Dimension)arg5, (Dimension)arg6) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*,boost::shared_ptr<psi::Matrix>,psi::Dimension,psi::Dimension,psi::Dimension,psi::Dimension)
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class Wavefunction(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      Wavefunction
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  Ca(...)
         |      Ca( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Ca(psi::Wavefunction {lvalue})
         |
         |  Ca_subset(...)
         |      Ca_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Ca_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  Cb(...)
         |      Cb( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Cb(psi::Wavefunction {lvalue})
         |
         |  Cb_subset(...)
         |      Cb_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Cb_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  Da(...)
         |      Da( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Da(psi::Wavefunction {lvalue})
         |
         |  Db(...)
         |      Db( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Db(psi::Wavefunction {lvalue})
         |
         |  Fa(...)
         |      Fa( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Fa(psi::Wavefunction {lvalue})
         |
         |  Fb(...)
         |      Fb( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> Fb(psi::Wavefunction {lvalue})
         |
         |  TPDM(...)
         |      TPDM( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> TPDM(psi::Wavefunction {lvalue})
         |
         |  X(...)
         |      X( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> X(psi::Wavefunction {lvalue})
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  add_postiteration_callback(...)
         |      add_postiteration_callback( (Wavefunction)arg1, (object)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void add_postiteration_callback(psi::Wavefunction {lvalue},_object*)
         |
         |  add_preiteration_callback(...)
         |      add_preiteration_callback( (Wavefunction)arg1, (object)arg2) -> None :
         |          docstring
         |
         |          C++ signature :
         |              void add_preiteration_callback(psi::Wavefunction {lvalue},_object*)
         |
         |  alpha_orbital_space(...)
         |      alpha_orbital_space( (Wavefunction)arg1, (str)arg2, (str)arg3, (str)arg4) -> OrbitalSpace :
         |          docstring
         |
         |          C++ signature :
         |              psi::OrbitalSpace alpha_orbital_space(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  aotoso(...)
         |      aotoso( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> aotoso(psi::Wavefunction {lvalue})
         |
         |  atomic_point_charges(...)
         |      atomic_point_charges( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> atomic_point_charges(psi::Wavefunction {lvalue})
         |
         |  basisset(...)
         |      basisset( (Wavefunction)arg1) -> BasisSet :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::BasisSet> basisset(psi::Wavefunction {lvalue})
         |
         |  beta_orbital_space(...)
         |      beta_orbital_space( (Wavefunction)arg1, (str)arg2, (str)arg3, (str)arg4) -> OrbitalSpace :
         |          docstring
         |
         |          C++ signature :
         |              psi::OrbitalSpace beta_orbital_space(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  doccpi(...)
         |      doccpi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension doccpi(psi::Wavefunction {lvalue})
         |
         |  energy(...)
         |      energy( (Wavefunction)arg1) -> float :
         |          docstring
         |
         |          C++ signature :
         |              double energy(psi::Wavefunction {lvalue})
         |
         |  epsilon_a(...)
         |      epsilon_a( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> epsilon_a(psi::Wavefunction {lvalue})
         |
         |  epsilon_a_subset(...)
         |      epsilon_a_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> epsilon_a_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  epsilon_b(...)
         |      epsilon_b( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> epsilon_b(psi::Wavefunction {lvalue})
         |
         |  epsilon_b_subset(...)
         |      epsilon_b_subset( (Wavefunction)arg1, (str)arg2, (str)arg3) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> epsilon_b_subset(psi::Wavefunction {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
         |
         |  frequencies(...)
         |      frequencies( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> frequencies(psi::Wavefunction {lvalue})
         |
         |  frzcpi(...)
         |      frzcpi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension frzcpi(psi::Wavefunction {lvalue})
         |
         |  frzvpi(...)
         |      frzvpi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension frzvpi(psi::Wavefunction {lvalue})
         |
         |  gradient(...)
         |      gradient( (Wavefunction)arg1) -> Matrix :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Matrix> gradient(psi::Wavefunction {lvalue})
         |
         |  molecule(...)
         |      molecule( (Wavefunction)arg1) -> Molecule :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Molecule> molecule(psi::Wavefunction {lvalue})
         |
         |  nalpha(...)
         |      nalpha( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nalpha(psi::Wavefunction {lvalue})
         |
         |      nalpha( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nalpha(psi::Wavefunction {lvalue})
         |
         |  nalphapi(...)
         |      nalphapi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension nalphapi(psi::Wavefunction {lvalue})
         |
         |  nbeta(...)
         |      nbeta( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nbeta(psi::Wavefunction {lvalue})
         |
         |      nbeta( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nbeta(psi::Wavefunction {lvalue})
         |
         |  nbetapi(...)
         |      nbetapi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension nbetapi(psi::Wavefunction {lvalue})
         |
         |  nfrzc(...)
         |      nfrzc( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nfrzc(psi::Wavefunction {lvalue})
         |
         |  nirrep(...)
         |      nirrep( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nirrep(psi::Wavefunction {lvalue})
         |
         |  nmo(...)
         |      nmo( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nmo(psi::Wavefunction {lvalue})
         |
         |  nmopi(...)
         |      nmopi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension nmopi(psi::Wavefunction {lvalue})
         |
         |  normalmodes(...)
         |      normalmodes( (Wavefunction)arg1) -> Vector :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::Vector> normalmodes(psi::Wavefunction {lvalue})
         |
         |  nso(...)
         |      nso( (Wavefunction)arg1) -> int :
         |          docstring
         |
         |          C++ signature :
         |              int nso(psi::Wavefunction {lvalue})
         |
         |  nsopi(...)
         |      nsopi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension nsopi(psi::Wavefunction {lvalue})
         |
         |  sobasisset(...)
         |      sobasisset( (Wavefunction)arg1) -> SOBasisSet :
         |          docstring
         |
         |          C++ signature :
         |              boost::shared_ptr<psi::SOBasisSet> sobasisset(psi::Wavefunction {lvalue})
         |
         |  soccpi(...)
         |      soccpi( (Wavefunction)arg1) -> Dimension :
         |          docstring
         |
         |          C++ signature :
         |              psi::Dimension soccpi(psi::Wavefunction {lvalue})
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __init__ = <built-in function __init__>
         |      Raises an exception
         |      This class cannot be instantiated from Python
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class matrix_vector(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      matrix_vector
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __contains__(...)
         |      __contains__( (matrix_vector)arg1, (object)arg2) -> bool :
         |
         |          C++ signature :
         |              bool __contains__(std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > {lvalue},_object*)
         |
         |  __delitem__(...)
         |      __delitem__( (matrix_vector)arg1, (object)arg2) -> None :
         |
         |          C++ signature :
         |              void __delitem__(std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > {lvalue},_object*)
         |
         |  __getitem__(...)
         |      __getitem__( (object)arg1, (object)arg2) -> object :
         |
         |          C++ signature :
         |              boost::python::api::object __getitem__(boost::python::back_reference<std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > >&>,_object*)
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __iter__(...)
         |      __iter__( (object)arg1) -> object :
         |
         |          C++ signature :
         |              boost::python::objects::iterator_range<boost::python::return_value_policy<boost::python::return_by_value, boost::python::default_call_policies>, __gnu_cxx::__normal_iterator<boost::shared_ptr<psi::Matrix>*, std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > > > __iter__(boost::python::back_reference<std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > >&>)
         |
         |  __len__(...)
         |      __len__( (matrix_vector)arg1) -> int :
         |
         |          C++ signature :
         |              unsigned long __len__(std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > {lvalue})
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  __setitem__(...)
         |      __setitem__( (matrix_vector)arg1, (object)arg2, (object)arg3) -> None :
         |
         |          C++ signature :
         |              void __setitem__(std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > {lvalue},_object*,_object*)
         |
         |  append(...)
         |      append( (matrix_vector)arg1, (object)arg2) -> None :
         |
         |          C++ signature :
         |              void append(std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > {lvalue},boost::python::api::object)
         |
         |  extend(...)
         |      extend( (matrix_vector)arg1, (object)arg2) -> None :
         |
         |          C++ signature :
         |              void extend(std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > {lvalue},boost::python::api::object)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 40
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

        class vector_of_doubles(Boost.Python.instance)
         |  docstring
         |
         |  Method resolution order:
         |      vector_of_doubles
         |      Boost.Python.instance
         |      __builtin__.object
         |
         |  Methods defined here:
         |
         |  __contains__(...)
         |      __contains__( (vector_of_doubles)arg1, (object)arg2) -> bool :
         |
         |          C++ signature :
         |              bool __contains__(std::vector<double, std::allocator<double> > {lvalue},_object*)
         |
         |  __delitem__(...)
         |      __delitem__( (vector_of_doubles)arg1, (object)arg2) -> None :
         |
         |          C++ signature :
         |              void __delitem__(std::vector<double, std::allocator<double> > {lvalue},_object*)
         |
         |  __getitem__(...)
         |      __getitem__( (object)arg1, (object)arg2) -> object :
         |
         |          C++ signature :
         |              boost::python::api::object __getitem__(boost::python::back_reference<std::vector<double, std::allocator<double> >&>,_object*)
         |
         |  __init__(...)
         |      __init__( (object)arg1) -> None :
         |
         |          C++ signature :
         |              void __init__(_object*)
         |
         |  __iter__(...)
         |      __iter__( (object)arg1) -> object :
         |
         |          C++ signature :
         |              boost::python::objects::iterator_range<boost::python::return_value_policy<boost::python::return_by_value, boost::python::default_call_policies>, __gnu_cxx::__normal_iterator<double*, std::vector<double, std::allocator<double> > > > __iter__(boost::python::back_reference<std::vector<double, std::allocator<double> >&>)
         |
         |  __len__(...)
         |      __len__( (vector_of_doubles)arg1) -> int :
         |
         |          C++ signature :
         |              unsigned long __len__(std::vector<double, std::allocator<double> > {lvalue})
         |
         |  __reduce__ = <unnamed Boost.Python function>(...)
         |
         |  __setitem__(...)
         |      __setitem__( (vector_of_doubles)arg1, (object)arg2, (object)arg3) -> None :
         |
         |          C++ signature :
         |              void __setitem__(std::vector<double, std::allocator<double> > {lvalue},_object*,_object*)
         |
         |  append(...)
         |      append( (vector_of_doubles)arg1, (object)arg2) -> None :
         |
         |          C++ signature :
         |              void append(std::vector<double, std::allocator<double> > {lvalue},boost::python::api::object)
         |
         |  extend(...)
         |      extend( (vector_of_doubles)arg1, (object)arg2) -> None :
         |
         |          C++ signature :
         |              void extend(std::vector<double, std::allocator<double> > {lvalue},boost::python::api::object)
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes defined here:
         |
         |  __instance_size__ = 40
         |
         |  ----------------------------------------------------------------------
         |  Data descriptors inherited from Boost.Python.instance:
         |
         |  __dict__
         |
         |  __weakref__
         |
         |  ----------------------------------------------------------------------
         |  Data and other attributes inherited from Boost.Python.instance:
         |
         |  __new__ = <built-in method __new__ of Boost.Python.class object>
         |      T.__new__(S, ...) -> a new object with type S, a subtype of T

    FUNCTIONS
        DASUM(...)
            DASUM( (int)arg1, (int)arg2, (Vector)arg3, (int)arg4) -> float :
                docstring

                C++ signature :
                    double DASUM(int,unsigned long,boost::shared_ptr<psi::Vector>,int)

        DAXPY(...)
            DAXPY( (int)arg1, (int)arg2, (float)arg3, (Vector)arg4, (int)arg5, (Vector)arg6, (int)arg7) -> None :
                docstring

                C++ signature :
                    void DAXPY(int,unsigned long,double,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Vector>,int)

        DCOPY(...)
            DCOPY( (int)arg1, (int)arg2, (Vector)arg3, (int)arg4, (Vector)arg5, (int)arg6) -> None :
                docstring

                C++ signature :
                    void DCOPY(int,unsigned long,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Vector>,int)

        DDOT(...)
            DDOT( (int)arg1, (int)arg2, (Vector)arg3, (int)arg4, (Vector)arg5, (int)arg6) -> float :
                docstring

                C++ signature :
                    double DDOT(int,unsigned long,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Vector>,int)

        DGBMV(...)
            DGBMV( (int)arg1, (str)arg2, (int)arg3, (int)arg4, (int)arg5, (int)arg6, (float)arg7, (Matrix)arg8, (int)arg9, (Vector)arg10, (int)arg11, (float)arg12, (Vector)arg13, (int)arg14) -> None :
                docstring

                C++ signature :
                    void DGBMV(int,char,int,int,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int,double,boost::shared_ptr<psi::Vector>,int)

        DGEEV(...)
            DGEEV( (int)arg1, (str)arg2, (str)arg3, (int)arg4, (Matrix)arg5, (int)arg6, (Vector)arg7, (Vector)arg8, (Matrix)arg9, (int)arg10, (Matrix)arg11, (int)arg12, (Vector)arg13, (int)arg14) -> int :
                docstring

                C++ signature :
                    int DGEEV(int,char,char,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int)

        DGEMM(...)
            DGEMM( (int)arg1, (str)arg2, (str)arg3, (int)arg4, (int)arg5, (int)arg6, (float)arg7, (Matrix)arg8, (int)arg9, (Matrix)arg10, (int)arg11, (float)arg12, (Matrix)arg13, (int)arg14) -> None :
                docstring

                C++ signature :
                    void DGEMM(int,char,char,int,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Matrix>,int,double,boost::shared_ptr<psi::Matrix>,int)

        DGEMV(...)
            DGEMV( (int)arg1, (str)arg2, (int)arg3, (int)arg4, (float)arg5, (Matrix)arg6, (int)arg7, (Vector)arg8, (int)arg9, (float)arg10, (Vector)arg11, (int)arg12) -> None :
                docstring

                C++ signature :
                    void DGEMV(int,char,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int,double,boost::shared_ptr<psi::Vector>,int)

        DGER(...)
            DGER( (int)arg1, (int)arg2, (int)arg3, (float)arg4, (Vector)arg5, (int)arg6, (Vector)arg7, (int)arg8, (Matrix)arg9, (int)arg10) -> None :
                docstring

                C++ signature :
                    void DGER(int,int,int,double,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Matrix>,int)

        DGETRF(...)
            DGETRF( (int)arg1, (int)arg2, (int)arg3, (Matrix)arg4, (int)arg5, (IntVector)arg6) -> int :
                docstring

                C++ signature :
                    int DGETRF(int,int,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::IntVector>)

        DGETRI(...)
            DGETRI( (int)arg1, (int)arg2, (Matrix)arg3, (int)arg4, (IntVector)arg5, (Vector)arg6, (int)arg7) -> int :
                docstring

                C++ signature :
                    int DGETRI(int,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::IntVector>,boost::shared_ptr<psi::Vector>,int)

        DGETRS(...)
            DGETRS( (int)arg1, (str)arg2, (int)arg3, (int)arg4, (Matrix)arg5, (int)arg6, (IntVector)arg7, (Matrix)arg8, (int)arg9) -> int :
                docstring

                C++ signature :
                    int DGETRS(int,char,int,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::IntVector>,boost::shared_ptr<psi::Matrix>,int)

        DNRM2(...)
            DNRM2( (int)arg1, (int)arg2, (Vector)arg3, (int)arg4) -> float :
                docstring

                C++ signature :
                    double DNRM2(int,unsigned long,boost::shared_ptr<psi::Vector>,int)

        DPOTRF(...)
            DPOTRF( (int)arg1, (str)arg2, (int)arg3, (Matrix)arg4, (int)arg5) -> int :
                docstring

                C++ signature :
                    int DPOTRF(int,char,int,boost::shared_ptr<psi::Matrix>,int)

        DPOTRI(...)
            DPOTRI( (int)arg1, (str)arg2, (int)arg3, (Matrix)arg4, (int)arg5) -> int :
                docstring

                C++ signature :
                    int DPOTRI(int,char,int,boost::shared_ptr<psi::Matrix>,int)

        DPOTRS(...)
            DPOTRS( (int)arg1, (str)arg2, (int)arg3, (int)arg4, (Matrix)arg5, (int)arg6, (Matrix)arg7, (int)arg8) -> int :
                docstring

                C++ signature :
                    int DPOTRS(int,char,int,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Matrix>,int)

        DROT(...)
            DROT( (int)arg1, (int)arg2, (Vector)arg3, (int)arg4, (Vector)arg5, (int)arg6, (float)arg7, (float)arg8) -> None :
                docstring

                C++ signature :
                    void DROT(int,unsigned long,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Vector>,int,double,double)

        DSBMV(...)
            DSBMV( (int)arg1, (str)arg2, (int)arg3, (int)arg4, (float)arg5, (Matrix)arg6, (int)arg7, (Vector)arg8, (int)arg9, (float)arg10, (Vector)arg11, (int)arg12) -> None :
                docstring

                C++ signature :
                    void DSBMV(int,char,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int,double,boost::shared_ptr<psi::Vector>,int)

        DSCAL(...)
            DSCAL( (int)arg1, (int)arg2, (float)arg3, (Vector)arg4, (int)arg5) -> None :
                docstring

                C++ signature :
                    void DSCAL(int,unsigned long,double,boost::shared_ptr<psi::Vector>,int)

        DSWAP(...)
            DSWAP( (int)arg1, (int)arg2, (Vector)arg3, (int)arg4, (Vector)arg5, (int)arg6) -> None :
                docstring

                C++ signature :
                    void DSWAP(int,unsigned long,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Vector>,int)

        DSYEV(...)
            DSYEV( (int)arg1, (str)arg2, (str)arg3, (int)arg4, (Matrix)arg5, (int)arg6, (Vector)arg7, (Vector)arg8, (int)arg9) -> int :
                docstring

                C++ signature :
                    int DSYEV(int,char,char,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,boost::shared_ptr<psi::Vector>,int)

        DSYMM(...)
            DSYMM( (int)arg1, (str)arg2, (str)arg3, (int)arg4, (int)arg5, (float)arg6, (Matrix)arg7, (int)arg8, (Matrix)arg9, (int)arg10, (float)arg11, (Matrix)arg12, (int)arg13) -> None :
                docstring

                C++ signature :
                    void DSYMM(int,char,char,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Matrix>,int,double,boost::shared_ptr<psi::Matrix>,int)

        DSYMV(...)
            DSYMV( (int)arg1, (str)arg2, (int)arg3, (float)arg4, (Matrix)arg5, (int)arg6, (Vector)arg7, (int)arg8, (float)arg9, (Vector)arg10, (int)arg11) -> None :
                docstring

                C++ signature :
                    void DSYMV(int,char,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int,double,boost::shared_ptr<psi::Vector>,int)

        DSYR(...)
            DSYR( (int)arg1, (str)arg2, (int)arg3, (float)arg4, (Vector)arg5, (int)arg6, (Matrix)arg7, (int)arg8) -> None :
                docstring

                C++ signature :
                    void DSYR(int,char,int,double,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Matrix>,int)

        DSYR2(...)
            DSYR2( (int)arg1, (str)arg2, (int)arg3, (float)arg4, (Vector)arg5, (int)arg6, (Vector)arg7, (int)arg8, (Matrix)arg9, (int)arg10) -> None :
                docstring

                C++ signature :
                    void DSYR2(int,char,int,double,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Vector>,int,boost::shared_ptr<psi::Matrix>,int)

        DSYR2K(...)
            DSYR2K( (int)arg1, (str)arg2, (str)arg3, (int)arg4, (int)arg5, (float)arg6, (Matrix)arg7, (int)arg8, (Matrix)arg9, (int)arg10, (float)arg11, (Matrix)arg12, (int)arg13) -> None :
                docstring

                C++ signature :
                    void DSYR2K(int,char,char,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Matrix>,int,double,boost::shared_ptr<psi::Matrix>,int)

        DSYRK(...)
            DSYRK( (int)arg1, (str)arg2, (str)arg3, (int)arg4, (int)arg5, (float)arg6, (Matrix)arg7, (int)arg8, (float)arg9, (Matrix)arg10, (int)arg11) -> None :
                docstring

                C++ signature :
                    void DSYRK(int,char,char,int,int,double,boost::shared_ptr<psi::Matrix>,int,double,boost::shared_ptr<psi::Matrix>,int)

        DSYSV(...)
            DSYSV( (int)arg1, (str)arg2, (int)arg3, (int)arg4, (Matrix)arg5, (int)arg6, (IntVector)arg7, (Matrix)arg8, (int)arg9, (Vector)arg10, (int)arg11) -> int :
                docstring

                C++ signature :
                    int DSYSV(int,char,int,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::IntVector>,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int)

        DTBMV(...)
            DTBMV( (int)arg1, (str)arg2, (str)arg3, (str)arg4, (int)arg5, (int)arg6, (Matrix)arg7, (int)arg8, (Vector)arg9, (int)arg10) -> None :
                docstring

                C++ signature :
                    void DTBMV(int,char,char,char,int,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int)

        DTBSV(...)
            DTBSV( (int)arg1, (str)arg2, (str)arg3, (str)arg4, (int)arg5, (int)arg6, (Matrix)arg7, (int)arg8, (Vector)arg9, (int)arg10) -> None :
                docstring

                C++ signature :
                    void DTBSV(int,char,char,char,int,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int)

        DTRMM(...)
            DTRMM( (int)arg1, (str)arg2, (str)arg3, (str)arg4, (str)arg5, (int)arg6, (int)arg7, (float)arg8, (Matrix)arg9, (int)arg10, (Matrix)arg11, (int)arg12) -> None :
                docstring

                C++ signature :
                    void DTRMM(int,char,char,char,char,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Matrix>,int)

        DTRMV(...)
            DTRMV( (int)arg1, (str)arg2, (str)arg3, (str)arg4, (int)arg5, (Matrix)arg6, (int)arg7, (Vector)arg8, (int)arg9) -> None :
                docstring

                C++ signature :
                    void DTRMV(int,char,char,char,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int)

        DTRSM(...)
            DTRSM( (int)arg1, (str)arg2, (str)arg3, (str)arg4, (str)arg5, (int)arg6, (int)arg7, (float)arg8, (Matrix)arg9, (int)arg10, (Matrix)arg11, (int)arg12) -> None :
                docstring

                C++ signature :
                    void DTRSM(int,char,char,char,char,int,int,double,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Matrix>,int)

        DTRSV(...)
            DTRSV( (int)arg1, (str)arg2, (str)arg3, (str)arg4, (int)arg5, (Matrix)arg6, (int)arg7, (Vector)arg8, (int)arg9) -> None :
                docstring

                C++ signature :
                    void DTRSV(int,char,char,char,int,boost::shared_ptr<psi::Matrix>,int,boost::shared_ptr<psi::Vector>,int)

        IDAMAX(...)
            IDAMAX( (int)arg1, (int)arg2, (Vector)arg3, (int)arg4) -> int :
                docstring

                C++ signature :
                    unsigned long IDAMAX(int,unsigned long,boost::shared_ptr<psi::Vector>,int)

        adc(...)
            adc() -> float :
                Runs the ADC propagator code, for excited states.

                C++ signature :
                    double adc()

        atomic_displacements(...)
            atomic_displacements() -> matrix_vector :
                Returns list of displacements generated by displacing each atom in the +/- x, y, z directions

                C++ signature :
                    std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > atomic_displacements()

        be_quiet(...)
            be_quiet() -> None :
                Redirects output to /dev/null.  To switch back to regular output mode, use reopen_outfile()

                C++ signature :
                    void be_quiet()

        benchmark_blas1(...)
            benchmark_blas1( (int)arg1, (float)arg2) -> None :
                docstring

                C++ signature :
                    void benchmark_blas1(int,double)

        benchmark_blas2(...)
            benchmark_blas2( (int)arg1, (float)arg2) -> None :
                docstring

                C++ signature :
                    void benchmark_blas2(int,double)

        benchmark_blas3(...)
            benchmark_blas3( (int)arg1, (float)arg2, (int)arg3) -> None :
                docstring

                C++ signature :
                    void benchmark_blas3(int,double,int)

        benchmark_disk(...)
            benchmark_disk( (int)arg1, (float)arg2) -> None :
                docstring

                C++ signature :
                    void benchmark_disk(int,double)

        benchmark_integrals(...)
            benchmark_integrals( (int)arg1, (float)arg2) -> None :
                docstring

                C++ signature :
                    void benchmark_integrals(int,double)

        benchmark_math(...)
            benchmark_math( (float)arg1) -> None :
                docstring

                C++ signature :
                    void benchmark_math(double)

        ccdensity(...)
            ccdensity() -> float :
                Runs the code to compute coupled cluster density matrices.

                C++ signature :
                    double ccdensity()

        ccenergy(...)
            ccenergy() -> float :
                Runs the coupled cluster energy code.

                C++ signature :
                    double ccenergy()

        cceom(...)
            cceom() -> float :
                Runs the equation of motion coupled cluster code, for excited states.

                C++ signature :
                    double cceom()

        cchbar(...)
            cchbar() -> float :
                Runs the code to generate the similarity transformed Hamiltonian.

                C++ signature :
                    double cchbar()

        cclambda(...)
            cclambda() -> float :
                Runs the coupled cluster lambda equations code.

                C++ signature :
                    double cclambda()

        ccresponse(...)
            ccresponse() -> float :
                Runs the coupled cluster response theory code.

                C++ signature :
                    double ccresponse()

        ccsort(...)
            ccsort() -> float :
                Runs CCSORT, which reorders integrals for use in the coupled cluster codes.

                C++ signature :
                    double ccsort()

        cctriples(...)
            cctriples() -> float :
                Runs the coupled cluster (T) energy code.

                C++ signature :
                    double cctriples()

        clean(...)
            clean() -> None :
                Function to remove scratch files. Call between independent jobs.

                C++ signature :
                    void clean()

        clean_variables(...)
            clean_variables() -> None :
                Empties all PSI variables that have set internally.

                C++ signature :
                    void clean_variables()

        close_outfile(...)
            close_outfile() -> None :
                Closes the output file.

                C++ signature :
                    void close_outfile()

        compute_shell(...)
            compute_shell( (TwoBodyAOInt)arg1, (int)arg2, (int)arg3, (int)arg4, (int)arg5) -> int :
                docstring

                C++ signature :
                    unsigned long compute_shell(psi::TwoBodyAOInt {lvalue},int,int,int,int)

        dcft(...)
            dcft() -> float :
                Runs the density cumulant functional theory code.

                C++ signature :
                    double dcft()

        deriv(...)
            deriv() -> int :
                Runs deriv, which contracts density matrices with derivative integrals, to compute gradients.

                C++ signature :
                    int deriv()

        detci(...)
            detci() -> float :
                Runs the determinant-based configuration interaction code.

                C++ signature :
                    double detci()

        dfmp2(...)
            dfmp2() -> float :
                Runs the DF-MP2 code.

                C++ signature :
                    double dfmp2()

        dfmp2grad(...)
            dfmp2grad() -> float :
                Runs the DF-MP2 gradient.

                C++ signature :
                    double dfmp2grad()

        dfocc(...)
            dfocc() -> float :
                Runs the density-fitted orbital optimized CC codes.

                C++ signature :
                    double dfocc()

        displace_atom(...)
            displace_atom( (Matrix)arg1, (int)arg2, (int)arg3, (int)arg4, (float)arg5) -> Matrix :
                Displaces one coordinate of single atom.

                C++ signature :
                    boost::shared_ptr<psi::Matrix> displace_atom(boost::shared_ptr<psi::Matrix>,int,int,int,double)

        dmrg(...)
            dmrg() -> float :
                Runs the DMRG code.

                C++ signature :
                    double dmrg()

        efp_init(...)
            efp_init() -> EFP :
                Initializes the EFP library and returns an EFP object.

                C++ signature :
                    boost::shared_ptr<psi::efp::EFP> efp_init()

        efp_set_options(...)
            efp_set_options() -> None :
                Set EFP options from environment options object.

                C++ signature :
                    void efp_set_options()

        fd_1_0(...)
            fd_1_0( (list)arg1) -> PsiReturnType :
                Performs a finite difference gradient computation, from energy points.

                C++ signature :
                    psi::PsiReturnType fd_1_0(boost::python::list)

        fd_freq_0(...)
            fd_freq_0( (list)arg1, (int)arg2) -> PsiReturnType :
                Performs a finite difference frequency computation, from energy points, for a given irrep.

                C++ signature :
                    psi::PsiReturnType fd_freq_0(boost::python::list,int)

        fd_freq_1(...)
            fd_freq_1( (list)arg1, (int)arg2) -> PsiReturnType :
                Performs a finite difference frequency computation, from gradients, for a given irrep.

                C++ signature :
                    psi::PsiReturnType fd_freq_1(boost::python::list,int)

        fd_geoms_1_0(...)
            fd_geoms_1_0() -> matrix_vector :
                Gets the list of displacements needed for a finite difference gradient computation, from energy points.

                C++ signature :
                    std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > fd_geoms_1_0()

        fd_geoms_freq_0(...)
            fd_geoms_freq_0( (int)arg1) -> matrix_vector :
                Gets the list of displacements needed for a finite difference frequency computation, from energy points, for a given irrep.

                C++ signature :
                    std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > fd_geoms_freq_0(int)

        fd_geoms_freq_1(...)
            fd_geoms_freq_1( (int)arg1) -> matrix_vector :
                Gets the list of displacements needed fof a finite difference frequency computation, from gradients, for a given irrep

                C++ signature :
                    std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > fd_geoms_freq_1(int)

        fd_geoms_hessian_0(...)
            fd_geoms_hessian_0() -> matrix_vector :
                Gets the list of displacements needed fof a finite difference frequency computation, from energy points.

                C++ signature :
                    std::vector<boost::shared_ptr<psi::Matrix>, std::allocator<boost::shared_ptr<psi::Matrix> > > fd_geoms_hessian_0()

        fd_hessian_0(...)
            fd_hessian_0( (list)arg1) -> PsiReturnType :
                Performs a finite difference frequency computation, from energy points.

                C++ signature :
                    psi::PsiReturnType fd_hessian_0(boost::python::list)

        fisapt(...)
            fisapt() -> float :
                Runs the functional-group intramolecular symmetry adapted perturbation theory code.

                C++ signature :
                    double fisapt()

        flush_outfile(...)
            flush_outfile() -> None :
                Flushes the output file.

                C++ signature :
                    void flush_outfile()

        fnocc(...)
            fnocc() -> float :
                Runs the fno-ccsd(t)/qcisd(t)/mp4/cepa energy code

                C++ signature :
                    double fnocc()

        get_active_efp(...)
            get_active_efp() -> EFP :
                Returns the currently active EFP object.

                C++ signature :
                    boost::shared_ptr<psi::efp::EFP> get_active_efp()

        get_active_molecule(...)
            get_active_molecule() -> Molecule :
                Returns the currently active molecule object.

                C++ signature :
                    boost::shared_ptr<psi::Molecule> get_active_molecule()

        get_array_variable(...)
            get_array_variable( (str)arg1) -> Matrix :
                Returns one of the PSI variables set internally by the modules or python driver (see manual for full listing of variables available).

                C++ signature :
                    boost::shared_ptr<psi::Matrix> get_array_variable(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        get_array_variables(...)
            get_array_variables() -> dict :
                Returns dictionary of the PSI variables set internally by the modules or python driver.

                C++ signature :
                    boost::python::dict get_array_variables()

        get_atomic_point_charges(...)
            get_atomic_point_charges() -> Vector :
                Returns the most recently computed atomic point charges, as a double * object.

                C++ signature :
                    boost::shared_ptr<psi::Vector> get_atomic_point_charges()

        get_efp_torque(...)
            get_efp_torque() -> Matrix :
                Returns the most recently computed gradient for the EFP portion, as a Nefp by 6 Matrix object.

                C++ signature :
                    boost::shared_ptr<psi::Matrix> get_efp_torque()

        get_frequencies(...)
            get_frequencies() -> Vector :
                Returns the most recently computed frequencies, as a 3N-6 Vector object.

                C++ signature :
                    boost::shared_ptr<psi::Vector> get_frequencies()

        get_global_option(...)
            get_global_option( (str)arg1) -> object :
                Given a string of a keyword name *arg1*, returns the value associated with the keyword from the global options. Returns error if keyword is not recognized.

                C++ signature :
                    boost::python::api::object get_global_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        get_global_option_list(...)
            get_global_option_list() -> list :
                Returns a list of all global options.

                C++ signature :
                    boost::python::list get_global_option_list()

        get_gradient(...)
            get_gradient() -> Matrix :
                Returns the most recently computed gradient, as a N by 3 Matrix object.

                C++ signature :
                    boost::shared_ptr<psi::Matrix> get_gradient()

        get_input_directory(...)
            get_input_directory() -> str :
                Returns the location of the input file.

                C++ signature :
                    std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > get_input_directory()

        get_local_option(...)
            get_local_option( (str)arg1, (str)arg2) -> object :
                Given a string of a keyword name *arg2* and a particular module *arg1*, returns the value associated with the keyword in the module options scope. Returns error if keyword is not recognized for the module.

                C++ signature :
                    boost::python::api::object get_local_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        get_memory(...)
            get_memory() -> int :
                Returns the amount of memory available to Psi (in bytes).

                C++ signature :
                    unsigned long get_memory()

        get_normalmodes(...)
            get_normalmodes() -> Vector :
                Returns the most recently computed normal modes Vector object.

                C++ signature :
                    boost::shared_ptr<psi::Vector> get_normalmodes()

        get_option(...)
            get_option( (str)arg1, (str)arg2) -> object :
                Given a string of a keyword name *arg2* and a particular module *arg1*, returns the local value associated with the keyword if it's been set, else the global value if it's been set, else the local default value. Returns error if keyword is not recognized globally or if keyword is not recognized for the module.

                C++ signature :
                    boost::python::api::object get_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        get_variable(...)
            get_variable( (str)arg1) -> float :
                Returns one of the PSI variables set internally by the modules or python driver (see manual for full listing of variables available).

                C++ signature :
                    double get_variable(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        get_variables(...)
            get_variables() -> dict :
                Returns dictionary of the PSI variables set internally by the modules or python driver.

                C++ signature :
                    boost::python::dict get_variables()

        git_version(...)
            git_version() -> str :
                Returns the git version of this copy of Psi.

                C++ signature :
                    char const* git_version()

        has_global_option_changed(...)
            has_global_option_changed( (str)arg1) -> bool :
                Returns boolean for whether the keyword *arg1* has been touched in the global scope, by either user or code. Notwithstanding, code is written such that in practice, this returns whether the option has been touched in the global scope by the user.

                C++ signature :
                    bool has_global_option_changed(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        has_local_option_changed(...)
            has_local_option_changed( (str)arg1, (str)arg2) -> bool :
                Returns boolean for whether the keyword *arg2* has been touched in the scope of the specified module *arg1*, by either user or code. Notwithstanding, code is written such that in practice, this returns whether the option has been touched in the module scope by the user.

                C++ signature :
                    bool has_local_option_changed(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        has_option_changed(...)
            has_option_changed( (str)arg1, (str)arg2) -> bool :
                Returns boolean for whether the option *arg2* has been touched either locally to the specified module *arg1* or globally, by either user or code. Notwithstanding, code is written such that in practice, this returns whether the option has been touched by the user.

                C++ signature :
                    bool has_option_changed(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        libfock(...)
            libfock() -> int :
                Runs a CPHF calculation, using libfock.

                C++ signature :
                    int libfock()

        lmp2(...)
            lmp2() -> float :
                Runs the local MP2 code.

                C++ signature :
                    double lmp2()

        mcscf(...)
            mcscf() -> float :
                Runs the MCSCF code, (N.B. restricted to certain active spaces).

                C++ signature :
                    double mcscf()

        mints(...)
            mints() -> int :
                Runs mints, which generate molecular integrals on disk.

                C++ signature :
                    int mints()

        mrcc_generate_input(...)
            mrcc_generate_input( (dict)arg1) -> PsiReturnType :
                Generates an input for Kallay's MRCC code.

                C++ signature :
                    psi::PsiReturnType mrcc_generate_input(boost::python::dict)

        mrcc_load_densities(...)
            mrcc_load_densities( (dict)arg1) -> PsiReturnType :
                Reads in the density matrices from Kallay's MRCC code.

                C++ signature :
                    psi::PsiReturnType mrcc_load_densities(boost::python::dict)

        nthread(...)
            nthread() -> int :
                Returns the number of threads to use in SMP parallel computations.

                C++ signature :
                    int nthread()

        nuclear_dipole(...)
            nuclear_dipole( (Molecule)arg1) -> Vector :
                docstring

                C++ signature :
                    boost::shared_ptr<psi::Vector> nuclear_dipole(boost::shared_ptr<psi::Molecule>)

        occ(...)
            occ() -> float :
                Runs the orbital optimized CC codes.

                C++ signature :
                    double occ()

        opt_clean(...)
            opt_clean() -> None :
                Cleans up the optimizer's scratch files.

                C++ signature :
                    void opt_clean()

        optking(...)
            optking() -> int :
                Runs the geometry optimization / frequency analysis code.

                C++ signature :
                    int optking()

        outfile_name(...)
            outfile_name() -> str :
                Returns the name of the output file.

                C++ signature :
                    std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > outfile_name()

        plugin(...)
            plugin( (str)arg1) -> int :
                docstring

                C++ signature :
                    int plugin(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        plugin_close(...)
            plugin_close( (str)arg1) -> None :
                docstring

                C++ signature :
                    void plugin_close(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        plugin_close_all(...)
            plugin_close_all() -> None :
                docstring

                C++ signature :
                    void plugin_close_all()

        plugin_load(...)
            plugin_load( (str)arg1) -> int :
                docstring

                C++ signature :
                    int plugin_load(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        prepare_options_for_module(...)
            prepare_options_for_module( (str)arg1) -> None :
                Sets the options module up to return options pertaining to the named argument (e.g. SCF).

                C++ signature :
                    void prepare_options_for_module(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        print_global_options(...)
            print_global_options() -> None :
                Prints the currently set global (all modules) options to the output file.

                C++ signature :
                    void print_global_options()

        print_options(...)
            print_options() -> None :
                Prints the currently set options (to the output file) for the current module.

                C++ signature :
                    void print_options()

        print_out(...)
            print_out( (str)arg1) -> None :
                Prints a string (using sprintf-like notation) to the output file.

                C++ signature :
                    void print_out(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        print_variables(...)
            print_variables() -> None :
                Prints all PSI variables that have been set internally.

                C++ signature :
                    void print_variables()

        psi_top_srcdir(...)
            psi_top_srcdir() -> str :
                Returns the location of the source code.

                C++ signature :
                    std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > psi_top_srcdir()

        psimrcc(...)
            psimrcc() -> float :
                Runs the multireference coupled cluster code.

                C++ signature :
                    double psimrcc()

        reopen_outfile(...)
            reopen_outfile() -> None :
                Reopens the output file.

                C++ signature :
                    void reopen_outfile()

        revoke_global_option_changed(...)
            revoke_global_option_changed( (str)arg1) -> None :
                Given a string of a keyword name *arg1*, sets the has_changed attribute in the global options scope to false. Used in python driver when a function sets the value of an option. Before the function exits, this command is called on the option so that has_changed reflects whether the user (not the program) has touched the option.

                C++ signature :
                    void revoke_global_option_changed(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        revoke_local_option_changed(...)
            revoke_local_option_changed( (str)arg1, (str)arg2) -> None :
                Given a string of a keyword name *arg2* and a particular module *arg1*, sets the has_changed attribute in the module options scope to false. Used in python driver when a function sets the value of an option. Before the function exits, this command is called on the option so that has_changed reflects whether the user (not the program) has touched the option.

                C++ signature :
                    void revoke_local_option_changed(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        sapt(...)
            sapt() -> float :
                Runs the symmetry adapted perturbation theory code.

                C++ signature :
                    double sapt()

        scatter(...)
            scatter( (float)arg1, (list)arg2, (list)arg3, (list)arg4) -> None :
                New Scatter function.

                C++ signature :
                    void scatter(double,boost::python::list,boost::python::list,boost::python::list)

        scf(...)
            scf( (object)arg1, (object)arg2) -> float :
                Runs the SCF code.

                C++ signature :
                    double scf(_object*,_object*)

            scf() -> float :
                Runs the SCF code.

                C++ signature :
                    double scf()

        scf_dummy(...)
            scf_dummy() -> float :
                Builds SCF wavefunctionobject only. Does not execute scf.

                C++ signature :
                    double scf_dummy()

        scfgrad(...)
            scfgrad() -> int :
                Run scfgrad, which is a specialized DF-SCF gradient program.

                C++ signature :
                    int scfgrad()

        scfhess(...)
            scfhess() -> int :
                Run scfhess, which is a specialized DF-SCF hessian program.

                C++ signature :
                    int scfhess()

        set_active_molecule(...)
            set_active_molecule( (Molecule)arg1) -> None :
                Activates a previously defined (in the input) molecule, by name.

                C++ signature :
                    void set_active_molecule(boost::shared_ptr<psi::Molecule>)

        set_array_variable(...)
            set_array_variable( (str)arg1, (Matrix)arg2) -> None :
                Sets a PSI variable, by name.

                C++ signature :
                    void set_array_variable(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::shared_ptr<psi::Matrix>)

        set_efp_torque(...)
            set_efp_torque( (Matrix)arg1) -> None :
                Assigns the global EFP gradient to the values stored in the Nefp by 6 Matrix argument.

                C++ signature :
                    void set_efp_torque(boost::shared_ptr<psi::Matrix>)

        set_frequencies(...)
            set_frequencies( (Vector)arg1) -> None :
                Assigns the global frequencies to the values stored in the 3N-6 Vector argument.

                C++ signature :
                    void set_frequencies(boost::shared_ptr<psi::Vector>)

        set_global_option(...)
            set_global_option( (str)arg1, (str)arg2) -> bool :
                Sets value *arg2* to string keyword *arg1* for all modules.

                C++ signature :
                    bool set_global_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

            set_global_option( (str)arg1, (float)arg2) -> bool :
                Sets value *arg2* to double keyword *arg1* for all modules.

                C++ signature :
                    bool set_global_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double)

            set_global_option( (str)arg1, (int)arg2) -> bool :
                Sets value *arg2* to integer keyword *arg1* for all modules.

                C++ signature :
                    bool set_global_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,int)

            set_global_option( (str)arg1, (list)arg2 [, (object)arg3]) -> bool :

                C++ signature :
                    bool set_global_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::python::list [,psi::DataType*])

        set_global_option_python(...)
            set_global_option_python( (str)arg1, (object)arg2) -> bool :
                Sets a global option to a Python object type.

                C++ signature :
                    bool set_global_option_python(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::python::api::object {lvalue})

        set_gradient(...)
            set_gradient( (Matrix)arg1) -> None :
                Assigns the global gradient to the values stored in the N by 3 Matrix argument.

                C++ signature :
                    void set_gradient(boost::shared_ptr<psi::Matrix>)

        set_local_option(...)
            set_local_option( (str)arg1, (str)arg2, (str)arg3) -> bool :
                Sets value *arg3* to string keyword *arg2* scoped only to a specific module *arg1*.

                C++ signature :
                    bool set_local_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

            set_local_option( (str)arg1, (str)arg2, (float)arg3) -> bool :
                Sets value *arg3* to double keyword *arg2* scoped only to a specific module *arg1*.

                C++ signature :
                    bool set_local_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double)

            set_local_option( (str)arg1, (str)arg2, (int)arg3) -> bool :
                Sets value *arg3* to integer keyword *arg2* scoped only to a specific module *arg1*.

                C++ signature :
                    bool set_local_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,int)

            set_local_option( (str)arg1, (str)arg2, (list)arg3 [, (object)arg4]) -> bool :

                C++ signature :
                    bool set_local_option(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::python::list [,psi::DataType*])

        set_local_option_python(...)
            set_local_option_python( (str)arg1, (object)arg2) -> None :
                Sets an option to a Python object, but scoped only to a single module.

                C++ signature :
                    void set_local_option_python(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,boost::python::api::object {lvalue})

        set_memory(...)
            set_memory( (int)arg1) -> None :
                Sets the memory available to Psi (in bytes).

                C++ signature :
                    void set_memory(unsigned long)

        set_normalmodes(...)
            set_normalmodes( (Vector)arg1) -> None :
                Assigns the global normalmodes to the values stored in a Vector argument.

                C++ signature :
                    void set_normalmodes(boost::shared_ptr<psi::Vector>)

        set_nthread(...)
            set_nthread( (int)arg1) -> None :
                Sets the number of threads to use in SMP parallel computations.

                C++ signature :
                    void set_nthread(int)

        set_parent_symmetry(...)
            set_parent_symmetry( (str)arg1) -> None :
                Sets the symmetry of the 'parent' (undisplaced) geometry, by Schoenflies symbol, at the beginning of a finite difference computation.

                C++ signature :
                    void set_parent_symmetry(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

        set_variable(...)
            set_variable( (str)arg1, (float)arg2) -> None :
                Sets a PSI variable, by name.

                C++ signature :
                    void set_variable(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double)

        stability(...)
            stability() -> int :
                Runs the (experimental version) of HF stability analysis.

                C++ signature :
                    int stability()

        thermo(...)
            thermo() -> float :
                Computes thermodynamic data.

                C++ signature :
                    double thermo()

        transqt(...)
            transqt() -> float :
                Runs the (deprecated) transformation code.

                C++ signature :
                    double transqt()

        transqt2(...)
            transqt2() -> float :
                Runs the (deprecated) transformation code.

                C++ signature :
                    double transqt2()

        version(...)
            version() -> str :
                Returns the version ID of this copy of Psi.

                C++ signature :
                    char const* version()

        wavefunction(...)
            wavefunction() -> Wavefunction :
                Returns the current wavefunction object from the most recent computation.

                C++ signature :
                    boost::shared_ptr<psi::Wavefunction> wavefunction()

    DATA
        Angstrom = psi4.GeometryUnits.Angstrom
        Ascending = psi4.DiagonalizeOrder.Ascending
        Balk = psi4.PsiReturnType.Balk
        Bohr = psi4.GeometryUnits.Bohr
        Descending = psi4.DiagonalizeOrder.Descending
        EndLoop = psi4.PsiReturnType.EndLoop
        Failure = psi4.PsiReturnType.Failure
        Success = psi4.PsiReturnType.Success