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Searched refs:CreateMOPacInternals (Results 1 – 5 of 5) sorted by relevance

/dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/
H A DInternals.h207 void CreateMOPacInternals(long Num);
H A DInternals.cpp35 void Internals::CreateMOPacInternals(long Num) { in CreateMOPacInternals() function in Internals
68 CreateMOPacInternals(3*MainData->GetMaximumAtomCount()); in WriteCoordinatesToFile()
75 CreateMOPacInternals(3*MainData->GetMaximumAtomCount()); in WriteMPCZMatCoordinatesToFile()
H A DMoleculeData.cpp753 IntCoords->CreateMOPacInternals(3*nAtoms); in ParseZMatrix()
911 IntCoords->CreateMOPacInternals(3*atmCount); in ParseGAMESSUKZMatrix()
1045 IntCoords->CreateMOPacInternals(3*nAtoms); in ParseMOPACZMatrix()
H A Dcoordinateswindow.cpp628 internals->CreateMOPacInternals(3*MainData->GetMaximumAtomCount()); in OnCoordchoice1Selected()
H A DFiles.cpp1632 MainData->IntCoords->CreateMOPacInternals(3*nAtoms); in OpenMOPACFile()