/dports/science/gabedit/GabeditSrc251_300720/src/QChem/ |
H A D | QChemMolecule.c | 109 *x = get_value_variableXYZ(GeomXYZ[i].X); in setXYZFromGeomXYZ() 113 *y = get_value_variableXYZ(GeomXYZ[i].Y); in setXYZFromGeomXYZ() 117 *z = get_value_variableXYZ(GeomXYZ[i].Z); in setXYZFromGeomXYZ()
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/dports/science/gabedit/GabeditSrc251_300720/src/MPQC/ |
H A D | MPQCMolecule.c | 114 *x = get_value_variableXYZ(GeomXYZ[i].X); in setXYZFromGeomXYZ() 118 *y = get_value_variableXYZ(GeomXYZ[i].Y); in setXYZFromGeomXYZ() 122 *z = get_value_variableXYZ(GeomXYZ[i].Z); in setXYZFromGeomXYZ()
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/dports/science/gabedit/GabeditSrc251_300720/src/Gaussian/ |
H A D | Gaussian.c | 812 sprintf(X,"%0.10f",get_value_variableXYZ(GeomXYZ[i].X)); in GetInfoXYZ() 817 sprintf(Y,"%0.10f",get_value_variableXYZ(GeomXYZ[i].Y)); in GetInfoXYZ() 822 sprintf(Z,"%0.10f",get_value_variableXYZ(GeomXYZ[i].Z)); in GetInfoXYZ() 845 sprintf(X,"%0.10f",get_value_variableXYZ(GeomXYZ[i].X)); in GetInfoXYZ() 850 sprintf(Y,"%0.10f",get_value_variableXYZ(GeomXYZ[i].Y)); in GetInfoXYZ() 855 sprintf(Z,"%0.10f",get_value_variableXYZ(GeomXYZ[i].Z)); in GetInfoXYZ()
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/dports/science/gabedit/GabeditSrc251_300720/src/DeMon/ |
H A D | DeMonMolecule.c | 109 *x = get_value_variableXYZ(GeomXYZ[i].X); in setXYZFromGeomXYZ() 113 *y = get_value_variableXYZ(GeomXYZ[i].Y); in setXYZFromGeomXYZ() 117 *z = get_value_variableXYZ(GeomXYZ[i].Z); in setXYZFromGeomXYZ()
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/dports/science/gabedit/GabeditSrc251_300720/src/Orca/ |
H A D | OrcaMolecule.c | 109 *x = get_value_variableXYZ(GeomXYZ[i].X); in setXYZFromGeomXYZ() 113 *y = get_value_variableXYZ(GeomXYZ[i].Y); in setXYZFromGeomXYZ() 117 *z = get_value_variableXYZ(GeomXYZ[i].Z); in setXYZFromGeomXYZ()
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/dports/science/gabedit/GabeditSrc251_300720/src/Psicode/ |
H A D | PsicodeMolecule.c | 111 *x = get_value_variableXYZ(GeomXYZ[i].X); in setXYZFromGeomXYZ() 115 *y = get_value_variableXYZ(GeomXYZ[i].Y); in setXYZFromGeomXYZ() 119 *z = get_value_variableXYZ(GeomXYZ[i].Z); in setXYZFromGeomXYZ()
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/dports/science/gabedit/GabeditSrc251_300720/src/Geometry/ |
H A D | GeomXYZ.c | 2057 X = get_value_variableXYZ(GeomXYZ[i].X); in save_xyz_file() 2061 Y = get_value_variableXYZ(GeomXYZ[i].Y); in save_xyz_file() 2065 Z = get_value_variableXYZ(GeomXYZ[i].Z); in save_xyz_file() 2221 X = get_value_variableXYZ(GeomXYZ[i].X); in save_mol_file() 2225 Y = get_value_variableXYZ(GeomXYZ[i].Y); in save_mol_file() 2229 Z = get_value_variableXYZ(GeomXYZ[i].Z); in save_mol_file() 2331 X = get_value_variableXYZ(GeomXYZ[i].X); in save_mol2_file() 2335 Y = get_value_variableXYZ(GeomXYZ[i].Y); in save_mol2_file() 2339 Z = get_value_variableXYZ(GeomXYZ[i].Z); in save_mol2_file() 5130 X = get_value_variableXYZ(GeomXYZ[i].X); in save_pdb_file() [all …]
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H A D | GeomConversion.c | 94 A.C[0] = get_value_variableXYZ(GeomXYZ[i].X); in get_coord_xyz_float() 98 A.C[1] = get_value_variableXYZ(GeomXYZ[i].Y); in get_coord_xyz_float() 102 A.C[2] = get_value_variableXYZ(GeomXYZ[i].Z); in get_coord_xyz_float()
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H A D | DrawGeomCairo.c | 7251 geometry[i].X = get_value_variableXYZ(GeomXYZ[i].X); in define_geometry_from_xyz() 7255 geometry[i].Y = get_value_variableXYZ(GeomXYZ[i].Y); in define_geometry_from_xyz() 7259 geometry[i].Z = get_value_variableXYZ(GeomXYZ[i].Z); in define_geometry_from_xyz()
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H A D | DrawGeomGL.c | 8234 geometry[i].X = get_value_variableXYZ(GeomXYZ[i].X); in define_geometry_from_xyz() 8238 geometry[i].Y = get_value_variableXYZ(GeomXYZ[i].Y); in define_geometry_from_xyz() 8242 geometry[i].Z = get_value_variableXYZ(GeomXYZ[i].Z); in define_geometry_from_xyz()
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/dports/science/gabedit/GabeditSrc251_300720/src/NWChem/ |
H A D | NWChemMolecule.c | 111 *x = get_value_variableXYZ(GeomXYZ[i].X); in setXYZFromGeomXYZ() 115 *y = get_value_variableXYZ(GeomXYZ[i].Y); in setXYZFromGeomXYZ() 119 *z = get_value_variableXYZ(GeomXYZ[i].Z); in setXYZFromGeomXYZ()
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/dports/science/gabedit/GabeditSrc251_300720/src/Mopac/ |
H A D | MopacMolecule.c | 127 *x = get_value_variableXYZ(GeomXYZ[i].X); in setXYZFromGeomXYZ() 131 *y = get_value_variableXYZ(GeomXYZ[i].Y); in setXYZFromGeomXYZ() 135 *z = get_value_variableXYZ(GeomXYZ[i].Z); in setXYZFromGeomXYZ() 229 sprintf(value,"%f ", get_value_variableXYZ(source)); in setValueVariableXYZ()
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/dports/science/gabedit/GabeditSrc251_300720/src/SemiEmpirical/ |
H A D | MoleculeSE.c | 421 if(!test(GeomXYZ[i].X)) x = get_value_variableXYZ(GeomXYZ[i].X); in createFromGeomXYZMoleculeSE() 423 if(!test(GeomXYZ[i].Y)) y = get_value_variableXYZ(GeomXYZ[i].Y); in createFromGeomXYZMoleculeSE() 425 if(!test(GeomXYZ[i].Z)) z = get_value_variableXYZ(GeomXYZ[i].Z); in createFromGeomXYZMoleculeSE()
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H A D | SemiEmpiricalDlg.c | 182 sprintf(value,"%f ", get_value_variableXYZ(source)); in setValueVariableXYZ() 1059 if(!test(GeomXYZ[i].X)) sprintf(X," %lf ", get_value_variableXYZ(GeomXYZ[i].X)); in runOneOrca() 1062 if(!test(GeomXYZ[i].Y)) sprintf(Y," %lf ", get_value_variableXYZ(GeomXYZ[i].Y)); in runOneOrca() 1065 if(!test(GeomXYZ[i].Z)) sprintf(Z," %lf ", get_value_variableXYZ(GeomXYZ[i].Z)); in runOneOrca()
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/dports/science/gabedit/GabeditSrc251_300720/src/FireFly/ |
H A D | FireFlyMolecule.c | 127 *x = get_value_variableXYZ(GeomXYZ[i].X); in setXYZFromGeomXYZ() 131 *y = get_value_variableXYZ(GeomXYZ[i].Y); in setXYZFromGeomXYZ() 135 *z = get_value_variableXYZ(GeomXYZ[i].Z); in setXYZFromGeomXYZ()
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/dports/science/gabedit/GabeditSrc251_300720/src/Gamess/ |
H A D | GamessMolecule.c | 126 *x = get_value_variableXYZ(GeomXYZ[i].X); in setXYZFromGeomXYZ() 130 *y = get_value_variableXYZ(GeomXYZ[i].Y); in setXYZFromGeomXYZ() 134 *z = get_value_variableXYZ(GeomXYZ[i].Z); in setXYZFromGeomXYZ()
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/dports/science/gabedit/GabeditSrc251_300720/src/Utils/ |
H A D | Utils.h | 90 gdouble get_value_variableXYZ(gchar *);
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H A D | Utils.c | 2091 gdouble get_value_variableXYZ(gchar *NameV) in get_value_variableXYZ() function
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/dports/science/gabedit/GabeditSrc251_300720/src/Molcas/ |
H A D | MolcasGateWay.c | 304 *x = get_value_variableXYZ(GeomXYZ[i].X); in setXYZFromGeomXYZ() 308 *y = get_value_variableXYZ(GeomXYZ[i].Y); in setXYZFromGeomXYZ() 312 *z = get_value_variableXYZ(GeomXYZ[i].Z); in setXYZFromGeomXYZ()
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