dftefe::ksdft::KohnShamOperatorContextFEInternal Namespace Reference

Functions
template<typename ValueTypeElectrostaticsCoeff , typename ValueTypeElectrostaticsBasis , typename ValueTypeWaveFunctionCoeff , typename ValueTypeWaveFunctionBasis , utils::MemorySpace memorySpace, size_type dim>
void	getElectrostaticONCVHamiltonian (const std::vector< typename KohnShamOperatorContextFE< ValueTypeElectrostaticsCoeff, ValueTypeElectrostaticsBasis, ValueTypeWaveFunctionCoeff, ValueTypeWaveFunctionBasis, memorySpace, dim >::HamiltonianPtrVariant > &hamiltonianComponentsVec, std::shared_ptr< const ElectrostaticONCVNonLocFE< ValueTypeElectrostaticsBasis, ValueTypeElectrostaticsCoeff, ValueTypeWaveFunctionBasis, ValueTypeWaveFunctionCoeff, memorySpace, dim > > &electroONCVHamiltonian)
template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
void	computeAxCellWiseLocal (const utils::MemoryStorage< ValueTypeOperator, memorySpace > &hamiltonianInAllCells, const ValueTypeOperand *x, linearAlgebra::blasLapack::scalar_type< ValueTypeOperator, ValueTypeOperand > *y, const size_type numVecs, const size_type numLocallyOwnedCells, const std::vector< size_type > &numCellDofs, const size_type *cellLocalIdsStartPtrX, const size_type *cellLocalIdsStartPtrY, const size_type cellBlockSize, linearAlgebra::LinAlgOpContext< memorySpace > &linAlgOpContext)
template<typename ValueTypeElectrostaticsCoeff , typename ValueTypeElectrostaticsBasis , typename ValueTypeWaveFunctionCoeff , typename ValueTypeWaveFunctionBasis , utils::MemorySpace memorySpace, size_type dim>
void	computeAxCellWiseOptimized (const utils::MemoryStorage< linearAlgebra::blasLapack::scalar_type< ValueTypeElectrostaticsBasis, ValueTypeWaveFunctionBasis >, memorySpace > &hamiltonianInAllCells, std::shared_ptr< const ElectrostaticONCVNonLocFE< ValueTypeElectrostaticsBasis, ValueTypeElectrostaticsCoeff, ValueTypeWaveFunctionBasis, ValueTypeWaveFunctionCoeff, memorySpace, dim > > &electroONCVHamiltonian, const linearAlgebra::blasLapack::scalar_type< ValueTypeElectrostaticsCoeff, ValueTypeWaveFunctionCoeff > *x, linearAlgebra::blasLapack::scalar_type< linearAlgebra::blasLapack::scalar_type< ValueTypeElectrostaticsBasis, ValueTypeWaveFunctionBasis >, linearAlgebra::blasLapack::scalar_type< ValueTypeElectrostaticsCoeff, ValueTypeWaveFunctionCoeff > > *y, utils::MemoryStorage< linearAlgebra::blasLapack::scalar_type< ValueTypeElectrostaticsCoeff, ValueTypeWaveFunctionCoeff >, memorySpace > &xCellValues, utils::MemoryStorage< linearAlgebra::blasLapack::scalar_type< ValueTypeElectrostaticsCoeff, ValueTypeWaveFunctionCoeff >, memorySpace > &yCellValues, const size_type numVecs, const size_type numLocallyOwnedCells, const std::vector< size_type > &numCellDofs, const size_type *cellLocalIdsStartPtrX, const size_type *cellLocalIdsStartPtrY, const size_type cellBlockSize, linearAlgebra::LinAlgOpContext< memorySpace > &linAlgOpContext)

Function Documentation

computeAxCellWiseLocal()

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

void dftefe::ksdft::KohnShamOperatorContextFEInternal::computeAxCellWiseLocal	(	const utils::MemoryStorage< ValueTypeOperator, memorySpace > &	hamiltonianInAllCells,
		const ValueTypeOperand *	x,
		linearAlgebra::blasLapack::scalar_type< ValueTypeOperator, ValueTypeOperand > *	y,
		const size_type	numVecs,
		const size_type	numLocallyOwnedCells,
		const std::vector< size_type > &	numCellDofs,
		const size_type *	cellLocalIdsStartPtrX,
		const size_type *	cellLocalIdsStartPtrY,
		const size_type	cellBlockSize,
		linearAlgebra::LinAlgOpContext< memorySpace > &	linAlgOpContext
	)

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computeAxCellWiseOptimized()

template<typename ValueTypeElectrostaticsCoeff , typename ValueTypeElectrostaticsBasis , typename ValueTypeWaveFunctionCoeff , typename ValueTypeWaveFunctionBasis , utils::MemorySpace memorySpace, size_type dim>

void dftefe::ksdft::KohnShamOperatorContextFEInternal::computeAxCellWiseOptimized	(	const utils::MemoryStorage< linearAlgebra::blasLapack::scalar_type< ValueTypeElectrostaticsBasis, ValueTypeWaveFunctionBasis >, memorySpace > &	hamiltonianInAllCells,
		std::shared_ptr< const ElectrostaticONCVNonLocFE< ValueTypeElectrostaticsBasis, ValueTypeElectrostaticsCoeff, ValueTypeWaveFunctionBasis, ValueTypeWaveFunctionCoeff, memorySpace, dim > > &	electroONCVHamiltonian,
		const linearAlgebra::blasLapack::scalar_type< ValueTypeElectrostaticsCoeff, ValueTypeWaveFunctionCoeff > *	x,
		linearAlgebra::blasLapack::scalar_type< linearAlgebra::blasLapack::scalar_type< ValueTypeElectrostaticsBasis, ValueTypeWaveFunctionBasis >, linearAlgebra::blasLapack::scalar_type< ValueTypeElectrostaticsCoeff, ValueTypeWaveFunctionCoeff > > *	y,
		utils::MemoryStorage< linearAlgebra::blasLapack::scalar_type< ValueTypeElectrostaticsCoeff, ValueTypeWaveFunctionCoeff >, memorySpace > &	xCellValues,
		utils::MemoryStorage< linearAlgebra::blasLapack::scalar_type< ValueTypeElectrostaticsCoeff, ValueTypeWaveFunctionCoeff >, memorySpace > &	yCellValues,
		const size_type	numVecs,
		const size_type	numLocallyOwnedCells,
		const std::vector< size_type > &	numCellDofs,
		const size_type *	cellLocalIdsStartPtrX,
		const size_type *	cellLocalIdsStartPtrY,
		const size_type	cellBlockSize,
		linearAlgebra::LinAlgOpContext< memorySpace > &	linAlgOpContext
	)

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getElectrostaticONCVHamiltonian()

template<typename ValueTypeElectrostaticsCoeff , typename ValueTypeElectrostaticsBasis , typename ValueTypeWaveFunctionCoeff , typename ValueTypeWaveFunctionBasis , utils::MemorySpace memorySpace, size_type dim>

void dftefe::ksdft::KohnShamOperatorContextFEInternal::getElectrostaticONCVHamiltonian	(	const std::vector< typename KohnShamOperatorContextFE< ValueTypeElectrostaticsCoeff, ValueTypeElectrostaticsBasis, ValueTypeWaveFunctionCoeff, ValueTypeWaveFunctionBasis, memorySpace, dim >::HamiltonianPtrVariant > &	hamiltonianComponentsVec,
		std::shared_ptr< const ElectrostaticONCVNonLocFE< ValueTypeElectrostaticsBasis, ValueTypeElectrostaticsCoeff, ValueTypeWaveFunctionBasis, ValueTypeWaveFunctionCoeff, memorySpace, dim > > &	electroONCVHamiltonian
	)

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