This is the complete list of members for dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim >, including all inherited members.
applyNonLocal(linearAlgebra::MultiVector< ValueTypeWaveFnCoeff, memorySpace > &X, linearAlgebra::MultiVector< ValueTypeWaveFnCoeff, memorySpace > &Y, bool updateGhostX, bool updateGhostY) const override | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | |
ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, memorySpace, dim >::applyNonLocal(linearAlgebra::MultiVector< ValueType, memorySpace > &X, linearAlgebra::MultiVector< ValueType, memorySpace > &Y, bool updateGhostX, bool updateGhostY) const=0 | dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, memorySpace, dim > | pure virtual |
dftefe::ksdft::Hamiltonian::applyNonLocal(linearAlgebra::MultiVector< ValueTypeOperator, memorySpace > &X, linearAlgebra::MultiVector< ValueTypeOperator, memorySpace > &Y, bool updateGhostX, bool updateGhostY) const =0 | dftefe::ksdft::Hamiltonian< ValueTypeOperator, memorySpace > | pure virtual |
d_atomNonLocOpContext | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | private |
d_atomSphericalDataContainerPSP | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | private |
d_atomSymbolVec | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | private |
d_atomVLocFunction | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | private |
d_electrostaticLocal | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | private |
d_energy | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | private |
d_isNonLocPSP | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | private |
d_linAlgOpContext | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | private |
d_maxCellBlock | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | private |
d_maxWaveFnBlock | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | private |
d_mpiComm | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | private |
d_numComponents | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | private |
d_rootCout | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | private |
ElectrostaticONCVNonLocFE(const std::vector< utils::Point > &atomCoordinates, const std::vector< double > &atomCharges, const std::vector< std::string > &atomSymbolVec, const std::shared_ptr< atoms::AtomSphericalDataContainer > atomSphericalDataContainerPSP, const std::vector< double > &smearedChargeRadius, const quadrature::QuadratureValuesContainer< RealType, memorySpace > &electronChargeDensity, std::shared_ptr< const basis::FEBasisManager< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace, dim > > feBMTotalCharge, std::shared_ptr< const basis::FEBasisManager< ValueTypeWaveFnCoeff, ValueTypeWaveFnBasis, memorySpace, dim > > feBMWaveFn, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeBasisData, memorySpace > > feBDTotalChargeStiffnessMatrix, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeBasisData, memorySpace > > feBDNuclearChargeRhs, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeBasisData, memorySpace > > feBDElectronicChargeRhs, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeWaveFnBasis, memorySpace > > feBDHamiltonian, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeWaveFnBasis, memorySpace > > feBDAtomCenterNonLocalOperator, std::shared_ptr< linearAlgebra::LinAlgOpContext< memorySpace > > linAlgOpContext, const size_type maxCellBlock, const size_type maxWaveFnBlock, const bool useDealiiMatrixFreePoissonSolve=true) | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | |
ElectrostaticONCVNonLocFE(const std::vector< utils::Point > &atomCoordinates, const std::vector< double > &atomCharges, const std::vector< std::string > &atomSymbolVec, const std::shared_ptr< atoms::AtomSphericalDataContainer > atomSphericalDataContainerPSP, const std::vector< double > &smearedChargeRadius, const utils::ScalarSpatialFunctionReal &atomicTotalElectroPotentialFunction, const utils::ScalarSpatialFunctionReal &atomicElectronicChargeDensityFunction, std::shared_ptr< const basis::FEBasisManager< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace, dim > > feBMTotalCharge, std::shared_ptr< const basis::FEBasisManager< ValueTypeWaveFnCoeff, ValueTypeWaveFnBasis, memorySpace, dim > > feBMWaveFn, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeBasisData, memorySpace > > feBDTotalChargeStiffnessMatrix, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeBasisData, memorySpace > > feBDNuclearChargeRhs, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeBasisData, memorySpace > > feBDElectronicChargeRhs, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeWaveFnBasis, memorySpace > > feBDHamiltonian, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeWaveFnBasis, memorySpace > > feBDAtomCenterNonLocalOperator, std::shared_ptr< linearAlgebra::LinAlgOpContext< memorySpace > > linAlgOpContext, const size_type maxCellBlock, const size_type maxWaveFnBlock, const bool useDealiiMatrixFreePoissonSolve=true) | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | |
evalEnergy(const std::vector< RealType > &occupation, linearAlgebra::MultiVector< ValueTypeWaveFnCoeff, memorySpace > &X) | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | |
getAtomCenterNonLocalOpContextFE() const | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | |
getEnergy() const override | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | virtual |
getFunctionalDerivative() const override | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | virtual |
getLocal(Storage &cellWiseStorage) const override | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | |
ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, memorySpace, dim >::getLocal(Storage &cellWiseStorage) const=0 | dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, memorySpace, dim > | pure virtual |
dftefe::ksdft::Hamiltonian::getLocal(utils::MemoryStorage< ValueTypeOperator, memorySpace > &cellWiseStorage) const =0 | dftefe::ksdft::Hamiltonian< ValueTypeOperator, memorySpace > | pure virtual |
hasLocalComponent() const override | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | virtual |
hasNonLocalComponent() const override | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | virtual |
RealType typedef | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | |
reinitBasis(const std::vector< utils::Point > &atomCoordinates, std::shared_ptr< const basis::FEBasisManager< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace, dim > > feBMTotalCharge, std::shared_ptr< const basis::FEBasisManager< ValueTypeWaveFnCoeff, ValueTypeWaveFnBasis, memorySpace, dim > > feBMWaveFn, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeBasisData, memorySpace > > feBDTotalChargeStiffnessMatrix, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeBasisData, memorySpace > > feBDNuclearChargeRhs, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeBasisData, memorySpace > > feBDElectronicChargeRhs, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeWaveFnBasis, memorySpace > > feBDHamiltonian, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeWaveFnBasis, memorySpace > > feBDAtomCenterNonLocalOperator) | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | |
reinitBasis(const std::vector< utils::Point > &atomCoordinates, const utils::ScalarSpatialFunctionReal &atomicTotalElectroPotentialFunction, const utils::ScalarSpatialFunctionReal &atomicElectronicChargeDensityFunction, std::shared_ptr< const basis::FEBasisManager< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace, dim > > feBMTotalCharge, std::shared_ptr< const basis::FEBasisManager< ValueTypeWaveFnCoeff, ValueTypeWaveFnBasis, memorySpace, dim > > feBMWaveFn, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeBasisData, memorySpace > > feBDTotalChargeStiffnessMatrix, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeBasisData, memorySpace > > feBDNuclearChargeRhs, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeBasisData, memorySpace > > feBDElectronicChargeRhs, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeWaveFnBasis, memorySpace > > feBDHamiltonian, std::shared_ptr< const basis::FEBasisDataStorage< ValueTypeWaveFnBasis, memorySpace > > feBDAtomCenterNonLocalOperator) | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | |
reinitField(const quadrature::QuadratureValuesContainer< RealType, memorySpace > &electronChargeDensity) | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | |
Storage typedef | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | |
ValueType typedef | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | |
~ElectrostaticFE()=default | dftefe::ksdft::ElectrostaticFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, memorySpace, dim > | virtual |
~ElectrostaticONCVNonLocFE()=default | dftefe::ksdft::ElectrostaticONCVNonLocFE< ValueTypeBasisData, ValueTypeBasisCoeff, ValueTypeWaveFnBasis, ValueTypeWaveFnCoeff, memorySpace, dim > | |
~Energy()=default | dftefe::ksdft::Energy< linearAlgebra::blasLapack::real_type< linearAlgebra::blasLapack::scalar_type< ValueTypeBasisData, ValueTypeBasisCoeff > > > | virtual |
~Hamiltonian()=default | dftefe::ksdft::Hamiltonian< ValueTypeOperator, memorySpace > | virtual |