.. _`apdx:cfour`:


CFOUR
=====

Interface to CFOUR program written by Stanton and Gauss. Keyword descriptions taken from the `CFOUR Website <http://slater.chemie.uni-mainz.de/cfour/index.php?n=Main.ListOfKeywordsInAlphabeticalOrder>`_ and extended by interface comments.

.. toctree::
   :hidden:
   :glob:

   cfour__*


PSI4 Control of CFOUR 
_____________________

.. include:: cfour__translate_psi4.rst

CFOUR Internal 
______________

.. include:: cfour__cfour_abcdtype.rst
.. include:: cfour__cfour_active_orbi.rst
.. include:: cfour__cfour_anharmonic.rst
.. include:: cfour__cfour_anh_algorithm.rst
.. include:: cfour__cfour_anh_derivatives.rst
.. include:: cfour__cfour_anh_stepsize.rst
.. include:: cfour__cfour_anh_symmetry.rst
.. include:: cfour__cfour_ao_ladders.rst
.. include:: cfour__cfour_av_scf.rst
.. include:: cfour__cfour_basis.rst
.. include:: cfour__cfour_bruck_conv.rst
.. include:: cfour__cfour_brueckner.rst
.. include:: cfour__cfour_cache_recs.rst
.. include:: cfour__cfour_calc_level.rst
.. include:: cfour__cfour_cc_conv.rst
.. include:: cfour__cfour_cc_exporder.rst
.. include:: cfour__cfour_cc_extrapolation.rst
.. include:: cfour__cfour_cc_maxcyc.rst
.. include:: cfour__cfour_cc_program.rst
.. include:: cfour__cfour_charge.rst
.. include:: cfour__cfour_cis_conv.rst
.. include:: cfour__cfour_continuum.rst
.. include:: cfour__cfour_contraction.rst
.. include:: cfour__cfour_convergence.rst
.. include:: cfour__cfour_coordinates.rst
.. include:: cfour__cfour_core_orbitals.rst
.. include:: cfour__cfour_cphf_conver.rst
.. include:: cfour__cfour_cphf_maxcyc.rst
.. include:: cfour__cfour_curvilinear.rst
.. include:: cfour__cfour_dboc.rst
.. include:: cfour__cfour_dct.rst
.. include:: cfour__cfour_deriv_level.rst
.. include:: cfour__cfour_diff_type.rst
.. include:: cfour__cfour_dropmo.rst
.. include:: cfour__cfour_ecp.rst
.. include:: cfour__cfour_eigenvector.rst
.. include:: cfour__cfour_el_anharm.rst
.. include:: cfour__cfour_eom_nonit.rst
.. include:: cfour__cfour_estate_conv.rst
.. include:: cfour__cfour_estate_maxcyc.rst
.. include:: cfour__cfour_estate_prop.rst
.. include:: cfour__cfour_estate_sym.rst
.. include:: cfour__cfour_estate_trans.rst
.. include:: cfour__cfour_eval_hess.rst
.. include:: cfour__cfour_excitation.rst
.. include:: cfour__cfour_excite.rst
.. include:: cfour__cfour_fc_field.rst
.. include:: cfour__cfour_fd_calctype.rst
.. include:: cfour__cfour_fd_irreps.rst
.. include:: cfour__cfour_fd_project.rst
.. include:: cfour__cfour_fd_stepsize.rst
.. include:: cfour__cfour_fd_usegroup.rst
.. include:: cfour__cfour_file_recsiz.rst
.. include:: cfour__cfour_file_stripe.rst
.. include:: cfour__cfour_finite_perturbation.rst
.. include:: cfour__cfour_fock.rst
.. include:: cfour__cfour_freq_algorithm.rst
.. include:: cfour__cfour_frozen_core.rst
.. include:: cfour__cfour_frozen_virt.rst
.. include:: cfour__cfour_gamma_abcd.rst
.. include:: cfour__cfour_genbas_1.rst
.. include:: cfour__cfour_genbas_2.rst
.. include:: cfour__cfour_genbas_3.rst
.. include:: cfour__cfour_genbas_4.rst
.. include:: cfour__cfour_geo_conv.rst
.. include:: cfour__cfour_geo_maxcyc.rst
.. include:: cfour__cfour_geo_maxstep.rst
.. include:: cfour__cfour_geo_method.rst
.. include:: cfour__cfour_giao.rst
.. include:: cfour__cfour_grid.rst
.. include:: cfour__cfour_guess.rst
.. include:: cfour__cfour_hbar.rst
.. include:: cfour__cfour_hfstability.rst
.. include:: cfour__cfour_incore.rst
.. include:: cfour__cfour_input_mrcc.rst
.. include:: cfour__cfour_integrals.rst
.. include:: cfour__cfour_joda_print.rst
.. include:: cfour__cfour_lineq_conv.rst
.. include:: cfour__cfour_lineq_maxcy.rst
.. include:: cfour__cfour_lineq_type.rst
.. include:: cfour__cfour_lock_orbocc.rst
.. include:: cfour__cfour_maxstep.rst
.. include:: cfour__cfour_memory_size.rst
.. include:: cfour__cfour_mem_unit.rst
.. include:: cfour__cfour_method.rst
.. include:: cfour__cfour_mrcc.rst
.. include:: cfour__cfour_multiplicity.rst
.. include:: cfour__cfour_nacoupling.rst
.. include:: cfour__cfour_negeval.rst
.. include:: cfour__cfour_newnorm.rst
.. include:: cfour__cfour_nonhf.rst
.. include:: cfour__cfour_ntop_tamp.rst
.. include:: cfour__cfour_occupation.rst
.. include:: cfour__cfour_open-shell.rst
.. include:: cfour__cfour_opt_maxcyc.rst
.. include:: cfour__cfour_orbitals.rst
.. include:: cfour__cfour_pert_orb.rst
.. include:: cfour__cfour_points.rst
.. include:: cfour__cfour_print.rst
.. include:: cfour__cfour_props.rst
.. include:: cfour__cfour_prop_integral.rst
.. include:: cfour__cfour_qrhfgues.rst
.. include:: cfour__cfour_qrhf_general.rst
.. include:: cfour__cfour_qrhf_orbital.rst
.. include:: cfour__cfour_raman_int.rst
.. include:: cfour__cfour_raman_orb.rst
.. include:: cfour__cfour_rdo.rst
.. include:: cfour__cfour_reference.rst
.. include:: cfour__cfour_relativistic.rst
.. include:: cfour__cfour_relax_dens.rst
.. include:: cfour__cfour_restart_cc.rst
.. include:: cfour__cfour_res_raman.rst
.. include:: cfour__cfour_rot_evec.rst
.. include:: cfour__cfour_save_ints.rst
.. include:: cfour__cfour_scale_on.rst
.. include:: cfour__cfour_scf_conv.rst
.. include:: cfour__cfour_scf_damping.rst
.. include:: cfour__cfour_scf_exporder.rst
.. include:: cfour__cfour_scf_expstart.rst
.. include:: cfour__cfour_scf_extrapolation.rst
.. include:: cfour__cfour_scf_maxcyc.rst
.. include:: cfour__cfour_sd_field.rst
.. include:: cfour__cfour_spherical.rst
.. include:: cfour__cfour_spinrotation.rst
.. include:: cfour__cfour_spin_flip.rst
.. include:: cfour__cfour_spin_orbit.rst
.. include:: cfour__cfour_spin_scal.rst
.. include:: cfour__cfour_subgroup.rst
.. include:: cfour__cfour_symmetry.rst
.. include:: cfour__cfour_sym_check.rst
.. include:: cfour__cfour_t3_extrapol.rst
.. include:: cfour__cfour_tamp_sum.rst
.. include:: cfour__cfour_thermochemistry.rst
.. include:: cfour__cfour_trans_inv.rst
.. include:: cfour__cfour_treat_pert.rst
.. include:: cfour__cfour_uij_threshold.rst
.. include:: cfour__cfour_units.rst
.. include:: cfour__cfour_update_hessian.rst
.. include:: cfour__cfour_vibration.rst
.. include:: cfour__cfour_vtran.rst
.. include:: cfour__cfour_xfield.rst
.. include:: cfour__cfour_xform_tol.rst
.. include:: cfour__cfour_yfield.rst
.. include:: cfour__cfour_zfield.rst


*Expert* PSI4 Control of CFOUR 
______________________________

.. include:: cfour__cfour_omp_num_threads.rst

