| /dports/science/gabedit/GabeditSrc251_300720/src/Geometry/ |
| H A D | MenuToolBarGeom.c | 417 if(!strcmp(name,"ReadXYZ")) { MethodeGeom = GEOM_IS_XYZ;selc_XYZ_file(GABEDIT_TYPEFILEGEOM_XYZ); } in activate_action()
419 …else if(!strcmp(name,"ReadCIF")) { MethodeGeom = GEOM_IS_XYZ;selc_XYZ_file(GABEDIT_TYPEFILEGEOM_CI… in activate_action()
420 else if(!strcmp(name,"ReadCIFNoSym")) { MethodeGeom = GEOM_IS_XYZ;selc_cif_file_nosym(); } in activate_action()
423 …else if(!strcmp(name,"ReadPDB")) { MethodeGeom = GEOM_IS_XYZ;selc_XYZ_file(GABEDIT_TYPEFILEGEOM_PD… in activate_action()
426 …else if(!strcmp(name,"ReadMol")) { MethodeGeom = GEOM_IS_XYZ;selc_XYZ_file(GABEDIT_TYPEFILEGEOM_MO… in activate_action()
450 …else if(!strcmp(name,"ReadWFX")) { MethodeGeom = GEOM_IS_XYZ;selc_XYZ_file(GABEDIT_TYPEFILEGEOM_WF… in activate_action()
643 if(MethodeGeom == GEOM_IS_XYZ) create_GeomXYZ_from_draw_grometry(); in activate_action()
710 MethodeGeom = GEOM_IS_XYZ; in activate_action()
718 MethodeGeom = GEOM_IS_XYZ; in activate_action()
723 MethodeGeom = GEOM_IS_XYZ; in activate_action()
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| H A D | GeomGlobal.h | 22 #ifndef GEOM_IS_XYZ
23 #define GEOM_IS_XYZ 2 /* 0 for IS_MOLPRO 1 for IS_GAUSS */ macro
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| H A D | GeomXYZ.c | 300 MethodeGeom = GEOM_IS_XYZ; in calculMMTypes()
5646 MethodeGeom = GEOM_IS_XYZ; in read_molden_gabedit_geom_conv_file()
5869 MethodeGeom = GEOM_IS_XYZ; in read_gabedit_geoms_file()
6125 MethodeGeom = GEOM_IS_XYZ; in read_geom_from_mpqc_output_file()
6260 MethodeGeom = GEOM_IS_XYZ; in read_geom_from_wfx_file()
6422 MethodeGeom = GEOM_IS_XYZ; in read_geom_conv_from_dalton_output_file()
6538 MethodeGeom = GEOM_IS_XYZ; in read_geom_from_dalton_output_file()
6694 MethodeGeom = GEOM_IS_XYZ; in read_geom_conv_from_gamess_output_file()
6834 MethodeGeom = GEOM_IS_XYZ; in read_geom_from_aimall_file()
7002 MethodeGeom = GEOM_IS_XYZ; in read_geom_from_gamess_output_file()
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| H A D | BuildLinear.c | 90 MethodeGeom = GEOM_IS_XYZ; in build_linear_molecule()
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| H A D | InterfaceGeom.c | 194 MethodeGeom = GEOM_IS_XYZ; in create_geomXYZ_interface()
578 if(GeomXYZ != NULL && MethodeGeom == GEOM_IS_XYZ) in edit_geometry()
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| H A D | BuildRing.c | 102 MethodeGeom = GEOM_IS_XYZ; in build_ring_molecule()
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| H A D | BuildRoZPhi.c | 130 MethodeGeom = GEOM_IS_XYZ; in build_rozphi_molecule()
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| H A D | BuildNanoTube.c | 173 MethodeGeom = GEOM_IS_XYZ; in build_nanotube()
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| /dports/science/gabedit/GabeditSrc251_300720/src/Gaussian/ |
| H A D | GInterfaceGeom.c | 45 if( MethodeGeom == GEOM_IS_XYZ) in get_number_of_model_connections()
52 if( MethodeGeom == GEOM_IS_XYZ) in get_number_of_model_connections()
72 if( MethodeGeom == GEOM_IS_XYZ) in get_number_of_inter_connections()
80 if( MethodeGeom == GEOM_IS_XYZ) in get_number_of_inter_connections()
242 if(GeomXYZ != NULL && MethodeGeom == GEOM_IS_XYZ ) in GAjoutePageGeom()
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| H A D | Gaussian.c | 1040 else if( MethodeGeom == GEOM_IS_XYZ) GetInfoXYZ(); in GetInfoAll()
1075 else if( MethodeGeom == GEOM_IS_XYZ) GetInfoXYZ(); in putInfoAll()
1159 (MethodeGeom == GEOM_IS_XYZ && NcentersXYZ<1) || in gauss()
1161 (MethodeGeom != GEOM_IS_XYZ && MethodeGeom != GEOM_IS_ZMAT) in gauss()
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| H A D | GInterfaceRoute.c | 111 if( MethodeGeom == GEOM_IS_XYZ) in get_number_of_model_connections()
118 if( MethodeGeom == GEOM_IS_XYZ) in get_number_of_model_connections()
138 if( MethodeGeom == GEOM_IS_XYZ) in get_number_of_inter_connections()
146 if( MethodeGeom == GEOM_IS_XYZ) in get_number_of_inter_connections()
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| /dports/science/gabedit/GabeditSrc251_300720/src/Mopac/ |
| H A D | MopacMolecule.c | 201 if(MethodeGeom==GEOM_IS_XYZ && setMopacMoleculeFromGeomXYZ()) return TRUE; in setMopacMolecule()
283 if(MethodeGeom==GEOM_IS_XYZ) in putMopacMoleculeInTextEditor()
288 if(MethodeGeom==GEOM_IS_XYZ) in putMopacMoleculeInTextEditor()
735 if(MethodeGeom==GEOM_IS_XYZ) list = listXYZ; in setComboReactionPathVariableType()
738 if(MethodeGeom!=GEOM_IS_XYZ) in setComboReactionPathVariableType()
960 if(MethodeGeom==GEOM_IS_XYZ) sprintf(typeRP[0],"X"); in createReactionPathFrame()
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| /dports/science/gabedit/GabeditSrc251_300720/src/FireFly/ |
| H A D | FireFlyMolecule.c | 285 if(MethodeGeom==GEOM_IS_XYZ && setFireFlyMoleculeFromGeomXYZ()) return TRUE; in setFireFlyMolecule()
370 if(MethodeGeom!=GEOM_IS_XYZ)return; in putFireFlyMoleculeXYZFixedInTextEditor()
436 if(MethodeGeom==GEOM_IS_XYZ)return; in putFireFlyMoleculeZMatInTextEditor()
655 if(MethodeGeom==GEOM_IS_XYZ && (nrvar== 3*NcentersXYZ || nrvar==0)) in putFireFlyMoleculeInTextEditor()
670 if(strcmp(g,"C1")==0 || MethodeGeom!=GEOM_IS_XYZ) sprintf(buffer,"%s\n","C1"); in putFireFlyMoleculeInTextEditor()
673 if(MethodeGeom==GEOM_IS_XYZ) in putFireFlyMoleculeInTextEditor()
819 if(MethodeGeom!=GEOM_IS_XYZ) putFireFlyMoleculeZMatInTextEditor(); in putFireFlyGeometryInfoInTextEditor()
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| /dports/science/gabedit/GabeditSrc251_300720/src/Gamess/ |
| H A D | GamessMolecule.c | 284 if(MethodeGeom==GEOM_IS_XYZ && setGamessMoleculeFromGeomXYZ()) return TRUE; in setGamessMolecule()
314 if(MethodeGeom!=GEOM_IS_XYZ)return; in putGamessMoleculeXYZFixedInTextEditor()
380 if(MethodeGeom==GEOM_IS_XYZ)return; in putGamessMoleculeZMatInTextEditor()
599 if(MethodeGeom==GEOM_IS_XYZ && (nrvar== 3*NcentersXYZ || nrvar==0)) in putGamessMoleculeInTextEditor()
614 if(strcmp(g,"C1")==0 || MethodeGeom!=GEOM_IS_XYZ) sprintf(buffer,"%s\n","C1"); in putGamessMoleculeInTextEditor()
617 if(MethodeGeom==GEOM_IS_XYZ) in putGamessMoleculeInTextEditor()
763 if(MethodeGeom!=GEOM_IS_XYZ) putGamessMoleculeZMatInTextEditor(); in putGamessGeometryInfoInTextEditor()
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| /dports/science/gabedit/GabeditSrc251_300720/src/Utils/ |
| H A D | UtilsInterface.c | 848 j.geomtyp=GEOM_IS_XYZ; in get_geometry_type_from_molpro_input_file()
1019 j.geomtyp = GEOM_IS_XYZ; in get_geometry_type_from_gauss_input_file()
1022 j.geomtyp = GEOM_IS_XYZ; in get_geometry_type_from_gauss_input_file()
1071 j.geomtyp = GEOM_IS_XYZ; in get_geometry_type_from_nwchem_input_file()
1156 j.geomtyp = GEOM_IS_XYZ; in get_geometry_type_from_orca_input_file()
1213 j.geomtyp = GEOM_IS_XYZ; in get_geometry_type_from_qchem_input_file()
1216 j.geomtyp = GEOM_IS_XYZ; in get_geometry_type_from_qchem_input_file()
1273 j.geomtyp = GEOM_IS_XYZ; in get_geometry_type_from_mopac_input_file()
1345 if( j.geomtyp == GEOM_IS_XYZ) in read_geom_in_gauss_input()
1364 if( j.geomtyp == GEOM_IS_XYZ) in read_geom_in_molpro_input()
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| /dports/science/gabedit/GabeditSrc251_300720/src/Molpro/ |
| H A D | MInterfaceGeom.c | 147 if(GeomXYZ != NULL && MethodeGeom == GEOM_IS_XYZ) in AjoutePageGeom()
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| H A D | MInterfaceBasis.c | 788 if(MethodeGeom == GEOM_IS_XYZ) Ncenters = NcentersXYZ; in RedefineListeBasis()
794 if(MethodeGeom == GEOM_IS_XYZ) in RedefineListeBasis()
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| /dports/science/gabedit/GabeditSrc251_300720/src/Common/ |
| H A D | Global.h | 47 #define GEOM_IS_XYZ GABEDIT_TYPENODE_XYZ macro
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| /dports/science/gabedit/GabeditSrc251_300720/src/QChem/ |
| H A D | QChemMolecule.c | 183 if(MethodeGeom==GEOM_IS_XYZ && setQChemMoleculeFromGeomXYZ()) return TRUE; in setQChemMolecule()
271 if(MethodeGeom==GEOM_IS_XYZ) in putQChemMoleculeInTextEditor()
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| /dports/science/gabedit/GabeditSrc251_300720/src/DeMon/ |
| H A D | DeMonMolecule.c | 183 if(MethodeGeom==GEOM_IS_XYZ && setDeMonMoleculeFromGeomXYZ()) return TRUE; in setDeMonMolecule()
278 if(MethodeGeom==GEOM_IS_XYZ) in putDeMonMoleculeInTextEditor()
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| /dports/science/gabedit/GabeditSrc251_300720/src/Orca/ |
| H A D | OrcaMolecule.c | 183 if(MethodeGeom==GEOM_IS_XYZ && setOrcaMoleculeFromGeomXYZ()) return TRUE; in setOrcaMolecule()
273 if(MethodeGeom==GEOM_IS_XYZ) in putOrcaMoleculeInTextEditor()
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| /dports/science/gabedit/GabeditSrc251_300720/src/Psicode/ |
| H A D | PsicodeMolecule.c | 185 if(MethodeGeom==GEOM_IS_XYZ && setPsicodeMoleculeFromGeomXYZ()) return TRUE; in setPsicodeMolecule()
342 if(MethodeGeom==GEOM_IS_XYZ) in putPsicodeMoleculeInTextEditor()
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| /dports/science/gabedit/GabeditSrc251_300720/src/NWChem/ |
| H A D | NWChemMolecule.c | 185 if(MethodeGeom==GEOM_IS_XYZ && setNWChemMoleculeFromGeomXYZ()) return TRUE; in setNWChemMolecule()
342 if(MethodeGeom==GEOM_IS_XYZ) in putNWChemMoleculeInTextEditor()
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| /dports/science/gabedit/GabeditSrc251_300720/src/Molcas/ |
| H A D | MolcasGateWay.c | 626 MethodeGeom = GEOM_IS_XYZ; in setGeomXYZFromSXYZ()
676 MethodeGeom = GEOM_IS_XYZ; in setGeomXYZFromMolcasMolecule()
1676 if(MethodeGeom==GEOM_IS_XYZ) return; in putVariableConstantsZMatInTextEditor()
1918 if(MethodeGeom==GEOM_IS_XYZ) putMoleculeCoordBasisInTextEditor(); in putMoleculeInTextEditor()
1951 if(MethodeGeom==GEOM_IS_XYZ || groupSymmetry==1) putSymmetryInTextEditor(); in putGateWayInfoInTextEditor()
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| /dports/science/gabedit/GabeditSrc251_300720/src/Files/ |
| H A D | ListeFiles.c | 1847 MethodeGeom = GEOM_IS_XYZ; in select_row()
1854 MethodeGeom = GEOM_IS_XYZ; in select_row()
1861 MethodeGeom = GEOM_IS_XYZ; in select_row()
1868 MethodeGeom = GEOM_IS_XYZ; in select_row()
1875 MethodeGeom = GEOM_IS_XYZ; in select_row()
1896 MethodeGeom = GEOM_IS_XYZ; in select_row()
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