DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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dftfe::operatorDFTClass< memorySpace > Member List

This is the complete list of members for dftfe::operatorDFTClass< memorySpace >, including all inherited members.

getInverseSqrtMassVector()=0dftfe::operatorDFTClass< memorySpace >pure virtual
getMPICommunicatorDomain()=0dftfe::operatorDFTClass< memorySpace >pure virtual
getOverloadedConstraintMatrix() const =0dftfe::operatorDFTClass< memorySpace >pure virtual
getOverloadedConstraintMatrixHost() const =0dftfe::operatorDFTClass< memorySpace >pure virtual
getScratchFEMultivector(const unsigned int numVectors, const unsigned int index)=0dftfe::operatorDFTClass< memorySpace >pure virtual
getScratchFEMultivectorSinglePrec(const unsigned int numVectors, const unsigned int index)=0dftfe::operatorDFTClass< memorySpace >pure virtual
getSqrtMassVector()=0dftfe::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)=0dftfe::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)=0dftfe::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)=0dftfe::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)=0dftfe::operatorDFTClass< memorySpace >pure virtual
init(const std::vector< double > &kPointCoordinates, const std::vector< double > &kPointWeights)=0dftfe::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)=0dftfe::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)=0dftfe::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)=0dftfe::operatorDFTClass< memorySpace >pure virtual
reinitkPointSpinIndex(const unsigned int kPointIndex, const unsigned int spinIndex)=0dftfe::operatorDFTClass< memorySpace >pure virtual
reinitNumberWavefunctions(const unsigned int numWfc)=0dftfe::operatorDFTClass< memorySpace >pure virtual
~operatorDFTClass()dftfe::operatorDFTClass< memorySpace >inlinevirtual