Searched refs:init_dipole (Results 1 – 19 of 19) sorted by relevance
3 -e 's/Dipole.def = FALSE/init_dipole()/g' \
67 init_dipole(); in build_linear_molecule()
74 init_dipole(); in build_ring_molecule()
103 init_dipole(); in build_rozphi_molecule()
151 init_dipole(); in build_nanotube()
1475 init_dipole(); in FreeGeomXYZ()1497 init_dipole(); in freeGeomXYZ()3805 init_dipole(); in read_hin_file_no_add_list()4888 init_dipole(); in read_pdb_file_no_add_list()7394 init_dipole(); in read_geom_from_cif_file()7453 init_dipole(); in read_geom_from_vasp_xml_file()8505 init_dipole(); in read_fchk_gaussian_file()11334 init_dipole(); in read_XYZ_from_molpro_input_file()13015 init_dipole(); in read_mol2_tinker_file_no_add_list()13352 init_dipole(); in read_mol_file_no_add_list()[all …]
1898 init_dipole(); in FreeGeom()1951 init_dipole(); in freeGeom()
44 init_dipole(); in view_orb()
122 init_dipole(); in free_geometry()511 init_dipole(); in gl_read_xyz_file()737 init_dipole(); in gl_read_pdb_file()927 init_dipole(); in gl_read_hin_file()2608 init_dipole(); in gl_read_fchk_gaussn_file_geom()2635 init_dipole(); in gl_get_esp_charges_from_mopac_output_file()2640 init_dipole(); in gl_get_esp_charges_from_mopac_output_file()2671 init_dipole(); in gl_get_charges_from_mopac_output_file()2774 init_dipole(); in gl_read_mopac_output_file_geomi()2927 init_dipole(); in gl_read_mopac_aux_file_geomi()[all …]
451 init_dipole(); in set_grid()484 init_dipole(); in stopAnimation()
357 init_dipole(); in read_orca_hessian_file_frequencies()2748 init_dipole(); in read_gabedit_molden_geom()3514 init_dipole(); in read_molpro_geom()4544 init_dipole(); in read_gaussian_file_frequencies()4738 init_dipole(); in read_fchk_gaussian_file_frequencies()4790 init_dipole(); in read_adf_geom()5212 init_dipole(); in read_qchem_file_frequencies()5388 init_dipole(); in read_nwchem_file_frequencies()5541 init_dipole(); in read_psicode_file_frequencies()5690 init_dipole(); in read_orca_file_frequencies()[all …]
133 init_dipole(); in read_geomorb_nbo_file_geom()
127 init_dipole(); in read_geomorb_qchem_file_geom()
160 init_dipole(); in read_geomorb_gamess_file_geom()
2341 init_dipole(); in read_mopac_aux_file_geomi()4283 init_dipole(); in read_one_hin_file()4589 init_dipole(); in set_geometry()4645 init_dipole(); in stopAnimation()
2985 init_dipole(); in set_geometry()3261 init_dipole(); in stopAnimation()
2950 init_dipole(); in get_dipole_from_gamess_output_file()2991 init_dipole(); in get_dipole_from_turbomole_output_file()3029 init_dipole(); in get_dipole_from_gaussian_output_file()3080 init_dipole(); in get_dipole_from_molpro_output_file()3121 init_dipole(); in get_dipole_from_dalton_output_file()3163 init_dipole(); in get_dipole_from_orca_output_file()3189 init_dipole(); in get_dipole_from_vasp_output_file()3200 init_dipole(); in get_dipole_from_nwchem_output_file()3236 init_dipole(); in get_dipole_from_psicode_output_file()3274 init_dipole(); in get_dipole_from_qchem_output_file()[all …]
134 void init_dipole();
598 init_dipole(); in setGeomXYZFromSXYZ()648 init_dipole(); in setGeomXYZFromMolcasMolecule()