dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace > Class Template Reference

#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 dftfe::uInt matrixFreeVectorComponent, const dftfe::uInt matrixFreeQuadratureComponentRhs, const dftfe::uInt matrixFreeQuadratureComponentAX, bool isComputeMeanValueConstraint)
dftfe::linearAlgebra::MultiVector< double, memorySpace > &	computeRhs (dftfe::linearAlgebra::MultiVector< double, memorySpace > &NDBCVec, dftfe::linearAlgebra::MultiVector< double, memorySpace > &outputVec, dftfe::uInt 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, dftfe::uInt 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
dftfe::uInt	d_matrixFreeQuadratureComponentRhs
dftfe::uInt	d_matrixFreeVectorComponent
dftfe::uInt	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 dftfe::uInt	n_mpi_processes
const dftfe::uInt	this_mpi_process
dealii::ConditionalOStream	pcout
dftfe::uInt	d_locallyOwnedSize
dftfe::uInt	d_numberDofsPerElement
dftfe::uInt	d_numCells
dftfe::uInt	d_inc
double	d_negScalarCoeffAlpha
double	d_scalarCoeffAlpha
double	d_beta
double	d_alpha
char	d_transA
char	d_transB
dftfe::utils::MemoryStorage< dftfe::uInt, memorySpace >	d_mapNodeIdToProcId
dftfe::utils::MemoryStorage< dftfe::uInt, memorySpace >	d_mapQuadIdToProcId
dftfe::utils::MemoryStorage< double, memorySpace >	d_xCellLLevelNodalData
dftfe::utils::MemoryStorage< double, memorySpace >	d_AxCellLLevelNodalData
dftfe::utils::MemoryStorage< double, memorySpace > *	d_rhsQuadDataPtr
dftfe::uInt	d_matrixFreeQuadratureComponentAX
dftfe::uInt	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 (\dftfeInt(\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 (\dftfeInt(\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
dftfe::uInt	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, dftfe::uInt 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 dftfe::uInt	matrixFreeVectorComponent,
		const dftfe::uInt	matrixFreeQuadratureComponentRhs,
		const dftfe::uInt	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, dftfe::uInt 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>

dftfe::uInt dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_blockSize

private

d_cellBlockSize

template<dftfe::utils::MemorySpace memorySpace>

dftfe::uInt 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 (\dftfeInt(\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 (\dftfeInt(\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

d_cellStiffnessMatrixPtr

template<dftfe::utils::MemorySpace memorySpace>

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

private

d_constraintMatrixPtr

template<dftfe::utils::MemorySpace memorySpace>

const dealii::AffineConstraints<double>* dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_constraintMatrixPtr

private

pointer to dealii dealii::AffineConstraints<double> object

d_constraintsInfo

template<dftfe::utils::MemorySpace memorySpace>

dftUtils::constraintMatrixInfo<memorySpace> dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_constraintsInfo

private

d_diagonalA

template<dftfe::utils::MemorySpace memorySpace>

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

private

d_diagonalSqrtA

template<dftfe::utils::MemorySpace memorySpace>

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

private

d_dofHandler

template<dftfe::utils::MemorySpace memorySpace>

const dealii::DoFHandler<3>* dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_dofHandler

private

pointer to the dealii::DofHandler object. This is already part of the matrixFreeData object.

d_inc

template<dftfe::utils::MemorySpace memorySpace>

dftfe::uInt dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_inc

private

d_isComputeDiagonalA

template<dftfe::utils::MemorySpace memorySpace>

bool dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_isComputeDiagonalA

private

d_isMeanValueConstraintComputed

template<dftfe::utils::MemorySpace memorySpace>

bool dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_isMeanValueConstraintComputed

private

d_locallyOwnedSize

template<dftfe::utils::MemorySpace memorySpace>

dftfe::uInt dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_locallyOwnedSize

private

d_mapNodeIdToProcId

template<dftfe::utils::MemorySpace memorySpace>

dftfe::utils::MemoryStorage<dftfe::uInt, memorySpace> dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_mapNodeIdToProcId

private

d_mapQuadIdToProcId

template<dftfe::utils::MemorySpace memorySpace>

dftfe::utils::MemoryStorage<dftfe::uInt, memorySpace> dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_mapQuadIdToProcId

private

d_matrixFreeDataPtr

template<dftfe::utils::MemorySpace memorySpace>

const dealii::MatrixFree<3, double>* dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_matrixFreeDataPtr

private

pointer to dealii MatrixFree object

d_matrixFreeQuadratureComponentAX

template<dftfe::utils::MemorySpace memorySpace>

dftfe::uInt dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_matrixFreeQuadratureComponentAX

private

d_matrixFreeQuadratureComponentRhs

template<dftfe::utils::MemorySpace memorySpace>

dftfe::uInt dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_matrixFreeQuadratureComponentRhs

private

d_matrixFreeVectorComponent

template<dftfe::utils::MemorySpace memorySpace>

dftfe::uInt dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_matrixFreeVectorComponent

private

d_mpi_parent

template<dftfe::utils::MemorySpace memorySpace>

const MPI_Comm dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_mpi_parent

private

d_negScalarCoeffAlpha

template<dftfe::utils::MemorySpace memorySpace>

double dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_negScalarCoeffAlpha

private

d_nQuadsPerCell

template<dftfe::utils::MemorySpace memorySpace>

dftfe::uInt dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_nQuadsPerCell

private

d_numberDofsPerElement

template<dftfe::utils::MemorySpace memorySpace>

dftfe::uInt dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_numberDofsPerElement

private

d_numCells

template<dftfe::utils::MemorySpace memorySpace>

dftfe::uInt dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_numCells

private

d_rhsQuadDataPtr

template<dftfe::utils::MemorySpace memorySpace>

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

private

d_rhsVec

template<dftfe::utils::MemorySpace memorySpace>

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

private

d_scalarCoeffAlpha

template<dftfe::utils::MemorySpace memorySpace>

double dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_scalarCoeffAlpha

private

d_shapeFunctionValue

template<dftfe::utils::MemorySpace memorySpace>

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

private

storage for shapefunctions

d_transA

template<dftfe::utils::MemorySpace memorySpace>

char dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_transA

private

d_transB

template<dftfe::utils::MemorySpace memorySpace>

char dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::d_transB

private

d_xCellLLevelNodalData

template<dftfe::utils::MemorySpace memorySpace>

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

private

mpi_communicator

template<dftfe::utils::MemorySpace memorySpace>

const MPI_Comm dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::mpi_communicator

private

data members for the mpi implementation

n_mpi_processes

template<dftfe::utils::MemorySpace memorySpace>

const dftfe::uInt dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::n_mpi_processes

private

pcout

template<dftfe::utils::MemorySpace memorySpace>

dealii::ConditionalOStream dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::pcout

private

this_mpi_process

template<dftfe::utils::MemorySpace memorySpace>

const dftfe::uInt dftfe::MultiVectorPoissonLinearSolverProblem< memorySpace >::this_mpi_process

private

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The documentation for this class was generated from the following file:

• workspace/include/MultiVectorPoissonLinearSolverProblem.h