Searched refs:createMopacFiles (Results 1 – 2 of 2) sorted by relevance
| /dports/science/gabedit/GabeditSrc251_300720/src/MolecularMechanics/ |
| H A D | MolecularMechanicsDlg.c | 151 static gboolean createMopacFiles(gint numberOfGeometries, ForceField** geometries, gdouble* energie… in createMopacFiles() function
1064 createMopacFiles(numberOfGeometries, geometries, energies, fileNamePrefix, mopacKeywords); in createPostProcessingFiles()
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| /dports/science/gabedit/GabeditSrc251_300720/src/SemiEmpirical/ |
| H A D | SemiEmpiricalDlg.c | 4093 static gboolean createMopacFiles(gint numberOfGeometries, SemiEmpiricalModel** geometries, gdouble*… in createMopacFiles() function
4693 createMopacFiles(numberOfGeometries, geometries, energies, fileNamePrefix, mopacKeywords); in semiEmpiricalMDConfo()
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