Key1 | Key2 | Scriptname
--- | --- | ---
tag | file | tag_file.sh
dummy | dummy | dummy.sh
functions | common | functions_common.sh
csg | master | inverse.sh
check | csg_xml | check_csg_xml.py
prepare | ibi | prepare_generic.sh
prepare | iie | prepare_iie.sh
prepare | imc | prepare_imc.sh
prepare | generic | prepare_generic.sh
prepare | optimizer | prepare_optimizer.sh
prepare | re | prepare_re.sh
prepare_single | ibi | prepare_generic_single.sh
prepare_single | imc | prepare_generic_single.sh
prepare_single | generic | prepare_generic_single.sh
prepare_single | optimizer | prepare_optimizer_single.sh
initstep | ibi | initialize_step_generic.sh
initstep | iie | initialize_step_generic.sh
initstep | imc | initialize_step_generic.sh
initstep | optimizer | initialize_step_optimizer.sh
initstep | re | initialize_step_re.sh
add_pot | ibi | add_pot_generic.sh
add_pot | iie | add_pot_generic.sh
add_pot | imc | add_pot_generic.sh
add_pot | optimizer | dummy.sh
add_pot | re | dummy.sh
pre_update | ibi | dummy.sh
pre_update | iie | dummy.sh
pre_update | imc | dummy.sh
pre_update | optimizer | dummy.sh
pre_update | re | pre_update_re.sh
post_update | ibi | post_update_generic.sh
post_update | iie | post_update_generic.sh
post_update | imc | post_update_generic.sh
post_update | optimizer | dummy.sh
post_update | re | post_update_generic.sh
post_update_single | ibi | post_update_generic_single.sh
post_update_single | iie | post_update_generic_single.sh
post_update_single | imc | post_update_generic_single.sh
post_update_single | re | post_update_re_single.sh
postupd | scale | postupd_scale.sh
postupd | pressure | postupd_pressure.sh
postupd | lj | postupd_addlj.sh
postupd | splinesmooth | postupd_splinesmooth.sh
postupd | smooth | postupd_smooth.sh
postupd | shift | postadd_shift.sh
postupd | dummy | postadd_dummy.sh
postupd | tag | tag_file.sh
postupd | extrapolate | postupd_extrapolate.sh
postupd | kbibi | postupd_kbibi_correction.sh
postupd | cibi | postupd_cibi_correction.sh
postupd | ibi | postupd_ibi.sh
post | add | post_add.sh
post | add_single | post_add_single.sh
postadd | tag | tag_file.sh
postadd | dummy | postadd_dummy.sh
postadd | copyback | postadd_copyback.sh
postadd | compress | postadd_compress.sh
postadd | convergence | postadd_convergence.sh
postadd | acc_convergence | postadd_acc_convergence.sh
postadd | shift | postadd_shift.sh
postadd | overwrite | postadd_overwrite.sh
postadd | plot | postadd_plot.sh
postadd | average | postadd_average.sh
postadd | smooth_at_cut_off | postadd_smooth_at_cut_off.sh
convergence_check | default | convergence_check_default.sh
resample | target | resample_target.sh
update | ibi | update_ibi.sh
update | ibi_single | update_ibi_single.sh
update | ibi_pot | update_ibi_pot.pl
update | iie | update_iie.sh
update | iie_pot | iie.py
dist | invert_iie | iie.py
rdf_incl_intra | generic | calc_rdf_generic.sh
update | imc | update_imc.sh
update | imc_single | update_imc_single.sh
optimizer | prepare_state | optimizer_prepare_state.sh
optimizer | parameters_to_potential | optimizer_parameters_to_potential.sh
optimizer | state_to_potentials | optimizer_state_to_potentials.sh
optimizer | state_to_mapping | optimizer_state_to_mapping.sh
update | optimizer | update_optimizer.sh
update | optimizer_single | update_optimizer_single.sh
optimizer_target | rdf | optimizer_target_rdf.sh
optimizer_target | density | optimizer_target_density.sh
optimizer_target | pressure | optimizer_target_pressure.sh
simplex | precede_state | simplex_downhill_processor.pl
cma | precede_state | cma_processor.py
update | re | update_re.sh
calc | target_rdf | calc_target_rdf_generic.sh
pressure_cor | simple | pressure_cor_simple.pl
pressure_cor | wjk | pressure_cor_wjk.pl
compute_lj | 12_6 | lj_126.pl
kbibi | ramp_correction | kbibi_ramp_correction.pl
calc | kbint | calc_kbint.sh
table | add | add_POT.pl
table | integrate | table_integrate.pl
table | extrapolate | table_extrapolate.pl
table | merge | merge_tables.pl
table | smooth | table_smooth.pl
table | smooth_at_cut_off | table_smooth_at_cut_off.py
table | linearop | table_linearop.pl
table | dummy | table_dummy.sh
table | get_value | table_get_value.pl
table | switch_border | table_switch_border.pl
table | compare | table_combine.pl –die –op =
table | combine | table_combine.pl
table | average | table_average.sh
table | scale | table_scale.pl
table | change_flag | table_change_flag.sh
table | functional | table_functional.sh
potential | extrapolate | potential_extrapolate.sh
potential | shift | potential_shift.pl
convert_potential | tab | table_to_tab.pl
dist | adjust | dist_adjust.pl
dist | invert | dist_boltzmann_invert.pl
tables | jackknife | tables_jackknife.pl
initstep | gromacs | initialize_step_genericsim.sh
run | gromacs | run_gromacs.sh
clean | gromacs | clean_generic.sh
presimulation | gromacs | run_gromacs.sh –pre
pressure | gromacs | calc_pressure_gromacs.sh
pressure | lammps | calc_pressure_lammps.sh
rdf | gromacs | calc_rdf_generic.sh
imc_stat | gromacs | imc_stat_generic.sh
density | gromacs | calc_density_generic.sh
convert_potential | gromacs | potential_to_gromacs.sh
convert_potentials | gromacs | potentials_to_generic.sh
convert_potential | xvg | table_to_xvg.pl
functions | gromacs | functions_gromacs.sh
initstep | espresso | initialize_step_genericsim.sh
run | espresso | run_genericsim.sh
clean | espresso | clean_generic.sh
rdf | espresso | calc_rdf_generic.sh
imc_stat | espresso | imc_stat_generic.sh
density | espresso | calc_density_generic.sh
convert_potential | espresso | potential_to_generic.sh
convert_potentials | espresso | potentials_to_generic.sh
functions | espresso | functions_genericsim.sh
convert_potential | lammps | potential_to_lammps.sh
convert_potentials | lammps | potentials_to_generic.sh
initstep | lammps | initialize_step_genericsim.sh
run | lammps | run_genericsim.sh
clean | lammps | clean_generic.sh
rdf | lammps | calc_rdf_generic.sh
imc_stat | lammps | imc_stat_generic.sh
density | lammps | calc_density_generic.sh
functions | lammps | functions_genericsim.sh
convert_potential | espressopp | potential_to_generic.sh
convert_potentials | espressopp | potentials_to_generic.sh
initstep | espressopp | initialize_step_genericsim.sh
run | espressopp | run_genericsim.sh
clean | espressopp | clean_generic.sh
rdf | espressopp | calc_rdf_generic.sh
imc_stat | espressopp | imc_stat_generic.sh
density | espressopp | calc_density_generic.sh
functions | espressopp | functions_genericsim.sh
initstep | dlpoly | initialize_step_genericsim.sh
run | dlpoly | run_genericsim.sh
clean | dlpoly | clean_generic.sh
rdf | dlpoly | calc_rdf_generic.sh
imc_stat | dlpoly | imc_stat_generic.sh
density | dlpoly | calc_density_generic.sh
functions | dlpoly | functions_dlpoly.sh
convert_potential | dlpoly | potential_to_dlpoly.sh
convert_potentials | dlpoly | potentials_to_dlpoly.sh
convert_potential | hoomd-blue | potential_to_generic.sh
convert_potentials | hoomd-blue | potentials_to_generic.sh
initstep | hoomd-blue | initialize_step_genericsim.sh
run | hoomd-blue | run_genericsim.sh
clean | hoomd-blue | clean_generic.sh
rdf | hoomd-blue | calc_rdf_generic.sh
imc_stat | hoomd-blue | imc_stat_generic.sh
density | hoomd-blue | calc_density_generic.sh
functions | hoomd-blue | functions_genericsim.sh