DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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This is the complete list of members for dftfe::operatorDFTClass< memorySpace >, including all inherited members.
getInverseSqrtMassVector()=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
getMPICommunicatorDomain()=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
getOverloadedConstraintMatrix() const =0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
getOverloadedConstraintMatrixHost() const =0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
getScratchFEMultivector(const unsigned int numVectors, const unsigned int index)=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
getScratchFEMultivectorSinglePrec(const unsigned int numVectors, const unsigned int index)=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
getSqrtMassVector()=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
HX(dftfe::linearAlgebra::MultiVector< dataTypes::number, memorySpace > &src, const double scalarHX, const double scalarY, const double scalarX, dftfe::linearAlgebra::MultiVector< dataTypes::number, memorySpace > &dst, const bool onlyHPrimePartForFirstOrderDensityMatResponse=false)=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
HXCheby(dftfe::linearAlgebra::MultiVector< dataTypes::number, memorySpace > &src, const double scalarHX, const double scalarY, const double scalarX, dftfe::linearAlgebra::MultiVector< dataTypes::number, memorySpace > &dst, const bool onlyHPrimePartForFirstOrderDensityMatResponse=false, const bool skip1=false, const bool skip2=false, const bool skip3=false)=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
HXCheby(dftfe::linearAlgebra::MultiVector< dataTypes::numberFP32, memorySpace > &src, const double scalarHX, const double scalarY, const double scalarX, dftfe::linearAlgebra::MultiVector< dataTypes::numberFP32, memorySpace > &dst, const bool onlyHPrimePartForFirstOrderDensityMatResponse=false, const bool skip1=false, const bool skip2=false, const bool skip3=false)=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
HXWithLowdinOrthonormalisedInput(dftfe::linearAlgebra::MultiVector< dataTypes::number, memorySpace > &src, const double scalarHX, const double scalarY, const double scalarX, dftfe::linearAlgebra::MultiVector< dataTypes::number, memorySpace > &dst, const bool onlyHPrimePartForFirstOrderDensityMatResponse=false)=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
init(const std::vector< double > &kPointCoordinates, const std::vector< double > &kPointWeights)=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
overlapInverseMatrixTimesX(dftfe::linearAlgebra::MultiVector< dataTypes::number, memorySpace > &src, const double scalarOinvX, const double scalarY, const double scalarX, dftfe::linearAlgebra::MultiVector< dataTypes::number, memorySpace > &dst)=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
overlapInverseMatrixTimesX(dftfe::linearAlgebra::MultiVector< dataTypes::numberFP32, memorySpace > &src, const double scalarOinvX, const double scalarY, const double scalarX, dftfe::linearAlgebra::MultiVector< dataTypes::numberFP32, memorySpace > &dst)=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
overlapMatrixTimesX(dftfe::linearAlgebra::MultiVector< dataTypes::number, memorySpace > &src, const double scalarOX, const double scalarY, const double scalarX, dftfe::linearAlgebra::MultiVector< dataTypes::number, memorySpace > &dst, const bool useApproximateMatrixEntries=true)=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
reinitkPointSpinIndex(const unsigned int kPointIndex, const unsigned int spinIndex)=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
reinitNumberWavefunctions(const unsigned int numWfc)=0 | dftfe::operatorDFTClass< memorySpace > | pure virtual |
~operatorDFTClass() | dftfe::operatorDFTClass< memorySpace > | inlinevirtual |