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

/dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/
H A DSurfaceTypes.h398 float CalculateGrid(long xStart, long xEnd, mpAtom * Atoms, BasisSet * Basis,
456 float CalculateGrid(long xStart, long xEnd, Frame * lFrame, BasisSet * Basis,
472 …float CalculateGrid(long xStart, long xEnd, const mpAtom * const Atoms, const BasisSet * const Bas…
H A DMEP.cpp161 Data->GridMax = Data->Surf->CalculateGrid(Data->xStart, Data->xEnd, Data->lFrame, Data->Basis, in Calc3DMEPGrid()
194 …myData->GridMax = myData->Surf->CalculateGrid(myData->xStart, myData->xEnd, myData->lFrame, myData… in Entry()
203 float MEP3DSurface::CalculateGrid(long xStart, long xEnd, Frame * lFrame, BasisSet * Basis, in CalculateGrid() function in MEP3DSurface
438 GridMax = CalculateGrid(0,NumXGridPoints,lFrame, Basis, in CalculateMEPGrid()
H A Dorbitals.cpp2560 float GridMax = Data->Surf->CalculateGrid(Data->xStart, Data->xEnd, Data->Atoms, Data->Basis, in CalcGrid()
2603 …myData->GridMax = myData->Surf->CalculateGrid(myData->xStart, myData->xEnd, myData->Atoms, myData-… in Entry()
2864 GridMax = CalculateGrid(0,NumXGridPoints,lFrame->Atoms, Basis, MOVector, in CalculateMOGrid()
2886 float Orb3DSurface::CalculateGrid(long xStart, long xEnd, const mpAtom * const Atoms, const BasisSe… in CalculateGrid() function in Orb3DSurface
3524 float GridMax = Data->Surf->CalculateGrid(Data->xStart, Data->xEnd, Data->Atoms, Data->Basis, in CalcTEGrid()
3564 …myData->GridMax = myData->Surf->CalculateGrid(myData->xStart, myData->xEnd, myData->Atoms, myData-… in Entry()
3575 float TEDensity3DSurface::CalculateGrid(long xStart, long xEnd, mpAtom * Atoms, BasisSet * Basis, in CalculateGrid() function in TEDensity3DSurface
3936 GridMax = CalculateGrid(0,NumXGridPoints,lFrame->Atoms, Basis, in CalculateMOGrid()
/dports/comms/limesuite/LimeSuite-20.10.0/src/oglGraph/
H A DOpenGLGraph.h383 void CalculateGrid();
H A DOpenGLGraph.cpp392 CalculateGrid(); in DrawStaticElements()
500 void OpenGLGraph::CalculateGrid() in CalculateGrid() function in OpenGLGraph