Searched refs:RowBasis (Results 1 – 5 of 5) sorted by relevance
/dports/science/iboview/ibo-view.20150427/src/MicroScf/ |
H A D | CtAtomSet.cpp | 606 FBasisSet const &RowBasis, FBasisSet const &ColBasis, in Add1eIntegralMatrix() argument 610 MatrixSymmetric = (&RowBasis == &ColBasis); in Add1eIntegralMatrix() 613 assert( Dest.nRows == RowBasis.nFn() ); in Add1eIntegralMatrix() 623 *pShellA = &RowBasis.Shells[nShellA]; in Add1eIntegralMatrix() 655 assert( StartFnA == RowBasis.nFn() ); in Add1eIntegralMatrix() 659 FBasisSet const &RowBasis, FBasisSet const &ColBasis, in Make1eIntegralMatrixMultiComp() argument 663 MatrixSymmetric = (&RowBasis == &ColBasis); in Make1eIntegralMatrixMultiComp() 683 *pShellA = &RowBasis.Shells[nShellA]; in Make1eIntegralMatrixMultiComp() 692 StartFnA = RowBasis.pRawBasis->iFn(nShellA), in Make1eIntegralMatrixMultiComp() 726 AddKineticMatrix(Out, RowBasis, ColBasis, Mem); in MakeCoreHamiltonMatrix() [all …]
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H A D | CtAtomSet.h | 187 FBasisSet const &RowBasis, FBasisSet const &ColBasis, 190 FBasisSet const &RowBasis, FBasisSet const &ColBasis, 194 …void MakeCoreHamiltonMatrix( FMatrixView &Out, FBasisSet const &RowBasis, FBasisSet const &ColBasi… 195 …void MakeOverlapMatrix( FMatrixView &Out, FBasisSet const &RowBasis, FBasisSet const &ColBasis, FM… 196 …void AddKineticMatrix( FMatrixView &Out, FBasisSet const &RowBasis, FBasisSet const &ColBasis, FMe… 197 …void AddNuclearAttractionMatrix( FMatrixView &Out, FBasisSet const &RowBasis, FBasisSet const &Col… 198 void AddDipoleMatrix( FMatrixView &Out, FBasisSet const &RowBasis, FBasisSet const &ColBasis, 201 …void MakeCartesianMomentMatrix( FMatrixView &Out, FBasisSet const &RowBasis, FBasisSet const &ColB… 206 …nDeriv1( FMatrixView &GradXyz, FMatrixView const &Rdm, FBasisSet const &RowBasis, FBasisSet const …
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H A D | CtBasisSet.h | 182 void MakeIntMatrix( FMatrixView &Out, FBasisSet const &RowBasis, 184 void MakeIntMatrix( FMatrixView &Out, FRawBasis const &RowBasis, 189 void AccGradient2ix( double *pGrad, FMatrixView const &Rdm, FRawBasis const &RowBasis,
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H A D | CtBasisSet.cpp | 254 void MakeIntMatrix( FMatrixView &Dest, FBasisSet const &RowBasis, in MakeIntMatrix() argument 257 return MakeIntMatrix(Dest, *RowBasis.pRawBasis, *ColBasis.pRawBasis, Krn2i, Mem, Prefactor, Add); in MakeIntMatrix()
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/dports/math/laspack/laspack/examples/mlstest/ |
H A D | mlstest.c | 935 size_t BlockRow, RowBasis, Row; in GenL2DDirich() local 943 for (Row = RowBasis + 1; Row < RowBasis + Dim1[Level]; Row++) { in GenL2DDirich() 960 for (Row = RowBasis + 1; Row < RowBasis + Dim1[Level]; Row++) { in GenL2DDirich() 967 Row = RowBasis + Dim1[Level]; in GenL2DDirich() 977 Row = RowBasis + 1; in GenL2DDirich() 984 for (Row = RowBasis + 2; Row < RowBasis + Dim1[Level]; Row++) { in GenL2DDirich() 993 Row = RowBasis + Dim1[Level]; in GenL2DDirich() 1002 Row = RowBasis + 1; in GenL2DDirich() 1010 for (Row = RowBasis + 2; Row < RowBasis + Dim1[Level]; Row++) { in GenL2DDirich() 1031 Row = RowBasis + 1; in GenL2DDirich() [all …]
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