#include <MultiVectorPoissonLinearSolverProblem.h>

Inheritance diagram for dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >:

Public Member Functions
	MultiVectorPoissonLinearSolverProblem (const MPI_Comm &mpi_comm_parent, const MPI_Comm &mpi_comm_domain)

	~MultiVectorPoissonLinearSolverProblem ()

void	reinit (std::shared_ptr< dftfe::linearAlgebra::BLASWrapper< memorySpace > > BLASWrapperPtr, std::shared_ptr< dftfe::basis::FEBasisOperations< double, double, memorySpace > > basisOperationsPtr, const dealii::AffineConstraints< double > &constraintMatrix, const unsigned int matrixFreeVectorComponent, const unsigned int matrixFreeQuadratureComponentRhs, const unsigned int matrixFreeQuadratureComponentAX, bool isComputeMeanValueConstraint)

dftfe::linearAlgebra::MultiVector< double, memorySpace > &	computeRhs (dftfe::linearAlgebra::MultiVector< double, memorySpace > &NDBCVec, dftfe::linearAlgebra::MultiVector< double, memorySpace > &outputVec, unsigned int blockSizeInput) override
	Compute right hand side vector for the problem Ax = rhs.

void	vmult (dftfe::linearAlgebra::MultiVector< double, memorySpace > &Ax, dftfe::linearAlgebra::MultiVector< double, memorySpace > &x, unsigned int blockSize) override
	Compute A matrix multipled by x.

void	distributeX () override
	Apply the constraints to the solution vector.

void	precondition_Jacobi (dftfe::linearAlgebra::MultiVector< double, memorySpace > &dst, const dftfe::linearAlgebra::MultiVector< double, memorySpace > &src, const double omega) const override
	Jacobi preconditioning function.

void	precondition_JacobiSqrt (dftfe::linearAlgebra::MultiVector< double, memorySpace > &dst, const dftfe::linearAlgebra::MultiVector< double, memorySpace > &src, const double omega) const override
	Apply square-root of the Jacobi preconditioner function.

void	setDataForRhsVec (dftfe::utils::MemoryStorage< double, memorySpace > &inputQuadData)
	function to set data for Rhs Vec.

void	clear ()

Private Member Functions
void	tempRhsVecCalc (dftfe::linearAlgebra::MultiVector< double, memorySpace > &rhs)

void	preComputeShapeFunction ()

void	computeDiagonalA ()

void	computeMeanValueConstraint ()

Private Attributes
bool	d_isComputeDiagonalA

bool	d_isMeanValueConstraintComputed

const dealii::AffineConstraints< double > *	d_constraintMatrixPtr
	pointer to dealii dealii::AffineConstraints<double> object

dftfe::linearAlgebra::MultiVector< double, memorySpace > *	d_blockedXPtr

dftfe::linearAlgebra::MultiVector< double, memorySpace > *	d_blockedNDBCPtr

dftfe::linearAlgebra::MultiVector< double, memorySpace >	d_rhsVec

unsigned int	d_matrixFreeQuadratureComponentRhs

unsigned int	d_matrixFreeVectorComponent

unsigned int	d_blockSize

dftfe::utils::MemoryStorage< double, memorySpace >	d_diagonalA

dftfe::utils::MemoryStorage< double, memorySpace >	d_diagonalSqrtA

std::shared_ptr< dftfe::linearAlgebra::BLASWrapper< memorySpace > >	d_BLASWrapperPtr

std::shared_ptr< dftfe::basis::FEBasisOperations< double, double, memorySpace > >	d_basisOperationsPtr

const dealii::MatrixFree< 3, double > *	d_matrixFreeDataPtr
	pointer to dealii MatrixFree object

const dftfe::utils::MemoryStorage< double, memorySpace > *	d_cellStiffnessMatrixPtr

dftUtils::constraintMatrixInfo< memorySpace >	d_constraintsInfo

const MPI_Comm	mpi_communicator
	data members for the mpi implementation

const MPI_Comm	d_mpi_parent

const unsigned int	n_mpi_processes

const unsigned int	this_mpi_process

dealii::ConditionalOStream	pcout

size_type	d_locallyOwnedSize

size_type	d_numberDofsPerElement

size_type	d_numCells

size_type	d_inc

double	d_negScalarCoeffAlpha

double	d_scalarCoeffAlpha

double	d_beta

double	d_alpha

char	d_transA

char	d_transB

dftfe::utils::MemoryStorage< dftfe::global_size_type, memorySpace >	d_mapNodeIdToProcId

dftfe::utils::MemoryStorage< dftfe::global_size_type, memorySpace >	d_mapQuadIdToProcId

dftfe::utils::MemoryStorage< double, memorySpace >	d_xCellLLevelNodalData

dftfe::utils::MemoryStorage< double, memorySpace >	d_AxCellLLevelNodalData

dftfe::utils::MemoryStorage< double, memorySpace > *	d_rhsQuadDataPtr

unsigned int	d_matrixFreeQuadratureComponentAX

unsigned int	d_nQuadsPerCell

const dealii::DoFHandler< 3 > *	d_dofHandler

std::vector< double >	d_cellShapeFunctionGradientIntegral
	finite-element cell level matrix to store dot product between shapeFunction gradients (\int(\nabla N_i \cdot \nabla N_j)) with first dimension traversing the macro cell id and second dimension storing the matrix of size numberNodesPerElement x numberNodesPerElement in a flattened 1D dealii Vectorized array

std::vector< double >	d_cellShapeFunctionJxW
	finite-element cell level matrix to store dot product between shapeFunction gradients (\int(\nabla N_i )) with first dimension traversing the macro cell id and second dimension storing the matrix of size numberNodesPerElement in a flattened 1D dealii Vectorized array

std::vector< double >	d_shapeFunctionValue
	storage for shapefunctions

unsigned int	d_cellBlockSize

Constructor & Destructor Documentation

◆ MultiVectorPoissonLinearSolverProblem()

template<dftfe::utils::MemorySpace memorySpace>

dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::MultiVectorPoissonLinearSolverProblem	(	const MPI_Comm &	mpi_comm_parent,
		const MPI_Comm &	mpi_comm_domain )

◆ ~MultiVectorPoissonLinearSolverProblem()

template<dftfe::utils::MemorySpace memorySpace>

dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::~MultiVectorPoissonLinearSolverProblem ( )

Member Function Documentation

◆ clear()

template<dftfe::utils::MemorySpace memorySpace>

void dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::clear ( )

◆ computeDiagonalA()

template<dftfe::utils::MemorySpace memorySpace>

void dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::computeDiagonalA ( )

private

◆ computeMeanValueConstraint()

template<dftfe::utils::MemorySpace memorySpace>

void dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::computeMeanValueConstraint ( )

private

◆ computeRhs()

template<dftfe::utils::MemorySpace memorySpace>

dftfe::linearAlgebra::MultiVector< double, memorySpace > & dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::computeRhs	(	dftfe::linearAlgebra::MultiVector< double, memorySpace > &	NDBCVec,
		dftfe::linearAlgebra::MultiVector< double, memorySpace > &	outputVec,
		unsigned int	blockSizeInput )

overridevirtual

Compute right hand side vector for the problem Ax = rhs.

Parameters

rhs	vector for the right hand side values

Implements dftfe::MultiVectorLinearSolverProblem< memorySpace >.

◆ distributeX()

template<dftfe::utils::MemorySpace memorySpace>

void dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::distributeX ( )

overridevirtual

Apply the constraints to the solution vector.

Implements dftfe::MultiVectorLinearSolverProblem< memorySpace >.

◆ preComputeShapeFunction()

template<dftfe::utils::MemorySpace memorySpace>

void dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::preComputeShapeFunction ( )

private

◆ precondition_Jacobi()

template<dftfe::utils::MemorySpace memorySpace>

void dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::precondition_Jacobi	(	dftfe::linearAlgebra::MultiVector< double, memorySpace > &	dst,
		const dftfe::linearAlgebra::MultiVector< double, memorySpace > &	src,
		const double	omega ) const

overridevirtual

Jacobi preconditioning function.

Implements dftfe::MultiVectorLinearSolverProblem< memorySpace >.

◆ precondition_JacobiSqrt()

template<dftfe::utils::MemorySpace memorySpace>

void dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::precondition_JacobiSqrt	(	dftfe::linearAlgebra::MultiVector< double, memorySpace > &	dst,
		const dftfe::linearAlgebra::MultiVector< double, memorySpace > &	src,
		const double	omega ) const

overridevirtual

Apply square-root of the Jacobi preconditioner function.

Implements dftfe::MultiVectorLinearSolverProblem< memorySpace >.

◆ reinit()

template<dftfe::utils::MemorySpace memorySpace>

void dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::reinit	(	std::shared_ptr< dftfe::linearAlgebra::BLASWrapper< memorySpace > >	BLASWrapperPtr,
		std::shared_ptr< dftfe::basis::FEBasisOperations< double, double, memorySpace > >	basisOperationsPtr,
		const dealii::AffineConstraints< double > &	constraintMatrix,
		const unsigned int	matrixFreeVectorComponent,
		const unsigned int	matrixFreeQuadratureComponentRhs,
		const unsigned int	matrixFreeQuadratureComponentAX,
		bool	isComputeMeanValueConstraint )

◆ setDataForRhsVec()

template<dftfe::utils::MemorySpace memorySpace>

void dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::setDataForRhsVec ( dftfe::utils::MemoryStorage< double, memorySpace > & inputQuadData )

function to set data for Rhs Vec.

Parameters

[in] inputQuadData the value of the right hand side at the quad points

◆ tempRhsVecCalc()

template<dftfe::utils::MemorySpace memorySpace>

void dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::tempRhsVecCalc ( dftfe::linearAlgebra::MultiVector< double, memorySpace > & rhs )

private

◆ vmult()

template<dftfe::utils::MemorySpace memorySpace>

void dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::vmult	(	dftfe::linearAlgebra::MultiVector< double, memorySpace > &	Ax,
		dftfe::linearAlgebra::MultiVector< double, memorySpace > &	x,
		unsigned int	blockSize )

overridevirtual

Compute A matrix multipled by x.

Implements dftfe::MultiVectorLinearSolverProblem< memorySpace >.

Member Data Documentation

◆ d_alpha

template<dftfe::utils::MemorySpace memorySpace>

double dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_alpha

private

◆ d_AxCellLLevelNodalData

template<dftfe::utils::MemorySpace memorySpace>

dftfe::utils::MemoryStorage<double, memorySpace> dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_AxCellLLevelNodalData

private

◆ d_basisOperationsPtr

template<dftfe::utils::MemorySpace memorySpace>

std::shared_ptr< dftfe::basis::FEBasisOperations<double, double, memorySpace> > dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_basisOperationsPtr

private

◆ d_beta

template<dftfe::utils::MemorySpace memorySpace>

double dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_beta

private

◆ d_BLASWrapperPtr

template<dftfe::utils::MemorySpace memorySpace>

std::shared_ptr<dftfe::linearAlgebra::BLASWrapper<memorySpace> > dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_BLASWrapperPtr

private

◆ d_blockedNDBCPtr

template<dftfe::utils::MemorySpace memorySpace>

dftfe::linearAlgebra::MultiVector<double, memorySpace> * dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_blockedNDBCPtr

private

◆ d_blockedXPtr

template<dftfe::utils::MemorySpace memorySpace>

dftfe::linearAlgebra::MultiVector<double, memorySpace>* dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_blockedXPtr

private

the vector that stores the output obtained by solving the poisson problem

◆ d_blockSize

template<dftfe::utils::MemorySpace memorySpace>

unsigned int dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_blockSize

private

◆ d_cellBlockSize

template<dftfe::utils::MemorySpace memorySpace>

unsigned int dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_cellBlockSize

private

◆ d_cellShapeFunctionGradientIntegral

template<dftfe::utils::MemorySpace memorySpace>

std::vector<double> dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_cellShapeFunctionGradientIntegral

private

finite-element cell level matrix to store dot product between shapeFunction gradients (\int(\nabla N_i \cdot \nabla N_j)) with first dimension traversing the macro cell id and second dimension storing the matrix of size numberNodesPerElement x numberNodesPerElement in a flattened 1D dealii Vectorized array

◆ d_cellShapeFunctionJxW

template<dftfe::utils::MemorySpace memorySpace>

std::vector<double> dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_cellShapeFunctionJxW

private

finite-element cell level matrix to store dot product between shapeFunction gradients (\int(\nabla N_i )) with first dimension traversing the macro cell id and second dimension storing the matrix of size numberNodesPerElement in a flattened 1D dealii Vectorized array