| d_batchSizeSmall | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_chebyPolyScalingFactor | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_chebyshevPolynomialDegree | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_chfsi | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_eigenSolveResidualTolerance | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_eigSolveResNorm | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_elpaScala | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_fermiEnergy | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_fermiEnergyTolerance | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_filteredSubspace | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_filteredSubspaceOrtho | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_fracOccupancy | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_fracOccupancyTolerance | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_HXBatch | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_HXBatchSmall | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_isBoundKnown | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_isResidualChebyFilter | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_isSolved | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_kohnShamEnergiesMemspace | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_lanczosGuess | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_maxChebyshevFilterPass | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_MInvLanczos | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_MLanczos | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_MXBatch | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_MXBatchSmall | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_nOnes | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_numElectrons | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_numWantedEigenvalues | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_orthoType | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_p | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_rootCout | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_setChebyPolDegExternally | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_smearingTemperature | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_storeIntermediateSubspaces | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_wantedSpectrumLowerBound | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_wantedSpectrumUpperBound | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_waveFnBatch | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_waveFnBatchSmall | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_waveFunctionBatchSize | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| d_waveFunctionSubspaceGuess | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| getEigenSolveResidualNorm() | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| getFermiEnergy() | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| getFilteredSubspace() | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| getFractionalOccupancy() | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| getLinearEigenSolveResidual(const OpContext &kohnShamOperator, const linearAlgebra::MultiVector< ValueType, memorySpace > &kohnShamWaveFunctions, const OpContext &M) | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | private |
| getOrthogonalizedFilteredSubspace() | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| KohnShamEigenSolver(const size_type numElectrons, const double smearingTemperature, const double fermiEnergyTolerance, const double fracOccupancyTolerance, const double eigenSolveResidualTolerance, const size_type maxChebyshevFilterPass, linearAlgebra::MultiVector< ValueTypeOperand, memorySpace > &waveFunctionSubspaceGuess, linearAlgebra::Vector< ValueTypeOperand, memorySpace > &lanczosGuess, const linearAlgebra::ElpaScalapackManager &elpaScala, bool isResidualChebyshevFilter=true, const size_type waveFunctionBatchSize=0, const OpContext &MLanczos=linearAlgebra::IdentityOperatorContext< ValueTypeOperator, ValueTypeOperand, memorySpace >(), const OpContext &MInvLanczos=linearAlgebra::IdentityOperatorContext< ValueTypeOperator, ValueTypeOperand, memorySpace >(), linearAlgebra::OrthogonalizationType orthoType=linearAlgebra::OrthogonalizationType::CHOLESKY_GRAMSCHMIDT, bool storeIntermediateSubspaces=false) | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| OpContext typedef | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| RealType typedef | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| reinitBasis(linearAlgebra::MultiVector< ValueTypeOperand, memorySpace > &waveFunctionSubspaceGuess, linearAlgebra::Vector< ValueTypeOperand, memorySpace > &lanczosGuess, const OpContext &MLanczos=linearAlgebra::IdentityOperatorContext< ValueTypeOperator, ValueTypeOperand, memorySpace >(), const OpContext &MInvLanczos=linearAlgebra::IdentityOperatorContext< ValueTypeOperator, ValueTypeOperand, memorySpace >()) | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| reinitBounds(double wantedSpectrumLowerBound, double wantedSpectrumUpperBound) | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| setChebyPolyScalingFactor(double scalingFactor) | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| setChebyshevPolynomialDegree(size_type chebyPolyDeg) | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| setResidualChebyshevFilterFlag(bool flag) | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| solve(const OpContext &kohnShamOperator, std::vector< RealType > &kohnShamEnergies, linearAlgebra::MultiVector< ValueType, memorySpace > &kohnShamWaveFunctions, bool computeWaveFunctions=false, const OpContext &M=linearAlgebra::IdentityOperatorContext< ValueTypeOperator, ValueTypeOperand, memorySpace >(), const OpContext &MInv=linearAlgebra::IdentityOperatorContext< ValueTypeOperator, ValueTypeOperand, memorySpace >()) override | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| ValueType typedef | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
| ~KohnShamEigenSolver()=default | dftefe::ksdft::KohnShamEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > | |
1.9.5