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Searched refs:GetBasisSet (Results 1 – 6 of 6) sorted by relevance

/dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/
H A DMEP.cpp95 BasisSet * Basis = lData->GetBasisSet(); in CalculateMOGrid()
260 BasisSet * Basis = lData->GetBasisSet(); in CalculateMEPGrid()
490 BasisSet * Basis = lData->GetBasisSet(); in CalculateSurfaceValues()
591 BasisSet * Basis = lData->GetBasisSet(); in CalculateSurfaceValuesGrid()
H A DMoleculeData.h145 inline BasisSet * GetBasisSet(void) const {return Basis;}; in GetBasisSet() function
H A DInputData.cpp1918 if (lData->GetBasisSet() && (GetBasis() == 0)) return 1; in WriteToFile()
2161 BasisSet * lBasis = MainData->GetBasisSet(); in WriteToFile()
2519 BasisSet * lBasis = lData->GetBasisSet(); in WriteVecGroup()
H A Dorbitals.cpp2129 BasisSet * Basis = lData->GetBasisSet(); in CalculateMOGrid()
2230 BasisSet * Basis = lData->GetBasisSet(); in CalculateMOGrid()
2384 BasisSet * Basis = lData->GetBasisSet(); in CalculateMOGrid()
2635 BasisSet * Basis = lData->GetBasisSet(); in CalculateMOGrid()
3695 BasisSet * Basis = lData->GetBasisSet(); in CalculateMOGrid()
H A DMolDisplayWin.cpp855 BasisSet * lBasis = MainData->GetBasisSet(); in menuFileImport()
H A DsurfaceDlg.cpp668 BasisSet * BasisPtr = mData->GetBasisSet();