This class for describing vector for Lanczos method. More...

#include "MatrixOperation.h"

Collaboration diagram for CMatrixOperation::CVector:

Classes
struct	VECTOR_ELEMENT
	Vector Element data. More...

Public Types
typedef struct CMatrixOperation::CVector::VECTOR_ELEMENT *	LPVECTOR_ELEMENT

Public Member Functions
	CVector ()
	Constructor. More...

	~CVector ()
	Destructor. More...

void	SetSize (unsigned int nSize)
	Set Vector elements size. More...

unsigned int	GetSize ()
	Return Vector elements size. More...

void	SetAt (unsigned int nIndex, CComplex value)
	Set element value in specific index, Call by value. More...

void	SetAtEx (unsigned int nIndex, CComplex *pValue)
	Set element value in specific index, Call by reference. More...

void	SetAt (unsigned int nIndex, double fReal, double fImaginary)
	Set element value in specific index. More...

CComplex	GetAt (unsigned int nIndex)
	Get element value from specific index. More...

CComplex *	GetAtPt (unsigned int nIndex)
	Get element value from specific index. More...

void	ResetValue ()
	Reset every element to zero. More...

void	ScalarMultiple (CComplex Scalar)
	Scalar multiple operation. More...

void	ScalarMultiple (double fScalar)
	Scalar multiple operation. More...

void	ScalarDivision (CComplex Scalar)
	Scalar division operation. More...

void	ScalarDivision (double fScalar)
	Scalar division operation. More...

void	BuildRandomVector ()
	Building vector that has random value elements. More...

void	Normalize (bool bMPI=false)
	Normalize vector with norm. More...

double	GetNorm (bool bMPI=false)
	Getting norm of vector. More...

void	MinusVector (CVector *vector)
	Do minus operation between vectors. More...

void	PlusVector (CVector *vector)
	Do plus operation between vectors. More...

void	ScalarMultiThanMinusVector (double fScalar, CVector *vector)
	Do minus operation after scalar multiple to operand between vectors. More...

void	ReorthogonalizationVector (CVector *pVector, CComplex complex)
	Do reorthogonalization. More...

void	Finalize ()
	Free allocated memory for vector elements. More...

bool	InsertVector (unsigned int nStartIndex, CMatrixOperation::CVector *pVector)

bool	Serialize (double *pBuffer, bool bStore)
	Serialize vector. More...

CComplex	operator* (CVector &vector)
	operation overload for dot product with reference parameter More...

CComplex	operator* (CVector *vector)
	operation overload for dot product with pointer parameter More...

CVector	operator- (CVector &vector)
	operation overload for vector minus operation with reference parameter More...

CVector	operator- (CVector *vector)
	operation overload for vector minus operation with pointer parameter More...

CVector	operator+ (CVector &vector)
	operation overload for vector plus operation with reference parameter More...

CVector	operator+ (CVector *vector)
	operation overload for vector plus operation with pointer parameter More...

void	operator= (CVector &vector)
	operation overload for subsitution with reference parameter More...

void	operator= (CVector *vector)
	operation overload for subsitution with pointer parameter More...

Private Attributes
double_vector_t	m_vectValueRealBuffer
	A member variable for saving none zero elements. More...

double_vector_t	m_vectValueImaginaryBuffer
	A member variable for saving none zero elements. More...

unsigned int	m_nValueCount
	A numbers of elements. More...

CComplex	m_rtnTemp
	Temporary variable for return value. More...

Friends
class	CLanczosMethod

class	CMatrixOperation

class	CMPIManager

class	CSPLoop

Detailed Description

This class for describing vector for Lanczos method.

Date: 27/May/2014

Definition at line 56 of file MatrixOperation.h.

Member Typedef Documentation

typedef struct CMatrixOperation::CVector::VECTOR_ELEMENT * CMatrixOperation::CVector::LPVECTOR_ELEMENT

Constructor & Destructor Documentation

CMatrixOperation::CVector::CVector ( )

Constructor.

        CVector Class member function - Start

Definition at line 27 of file MatrixOperation.cpp.

References m_nValueCount.

 {
     m_nValueCount = 0;
 }

CMatrixOperation::CVector::~CVector ( )

Destructor.

Definition at line 32 of file MatrixOperation.cpp.

33 {

34 }

Member Function Documentation

void CMatrixOperation::CVector::BuildRandomVector ( )

Building vector that has random value elements.

Definition at line 200 of file MatrixOperation.cpp.

 {
     unsigned int            i;
 
     srand((unsigned int)time(NULL));
     for (i = 0; i < m_nValueCount; i++)
     {
         m_vectValueRealBuffer[i] = rand();
         m_vectValueImaginaryBuffer[i] = rand();
     }
 }

void CMatrixOperation::CVector::Finalize ( )

Free allocated memory for vector elements.

Definition at line 364 of file MatrixOperation.cpp.

Referenced by CLanczosMethod::AppendEigenVector(), CLanczosResultAudit::AuditResult_EV(), CHamiltonianBuilder::BuildHonsiteBasicMatrixFor10Band(), CHamiltonianBuilder::BuildOffsiteMatrixFor10Band(), CLanczosMethod::DoResidualCheck(), CSPLoop::Finalize(), CLanczosMethod::LanczosIteration(), CLanczosMethod::LanczosIterationLoop(), CLanczosMethod::MergeDegeneratedEigenvalues(), CMatrixOperation::MVMulOptimal(), CMatrixOperation::MVMulOptimal_Nooffload(), CLanczosMethod::ReleaseResult(), and CLanczosMethod::SortSolution().

 {
     m_vectValueRealBuffer.clear();
     m_vectValueImaginaryBuffer.clear();
 
     m_nValueCount = 0;
 }

Here is the caller graph for this function:

CComplex CMatrixOperation::CVector::GetAt ( unsigned int nIndex )

Get element value from specific index.

Parameters

nIndex Specific element index that want to get

Returns: element value

Definition at line 99 of file MatrixOperation.cpp.

References ERROR_OUT_OF_RANGE, and CComplex::SetComplexNumber().

Referenced by CMatrixOperation::AddVectors(), CLanczosResultAudit::AuditResult_WF(), CHamiltonianBuilder::BuildOffsiteMatrixFor10Band(), CGeometricShape::BuildPEBiasVector(), CGeometricShape::BuildPEWaveVector(), CLanczosMethod::BuildWaveFunction(), CLanczosMethod::CalculateEigenVector(), CMatrixOperation::CCSR::DiagonalOperation(), CSPLoop::executeSPLoop(), InsertVector(), CMatrixOperation::MVMul(), operator*(), CMatrixOperation::CCSR::operator*(), operator+(), operator-(), CLanczosMethod::RecalcuWaveFunction(), IGeometricUnitCellInfo::RotateAxis(), IGeometricUnitCellInfo::RotateNeighbor(), CHamiltonianBuilder::RotateTransMatrixFor10Band(), CLanczosMethod::SaveLanczosResult(), CMatrixOperation::ScalarMulVectors(), CMatrixOperation::CDMatrix::SetColumnElement(), CMatrixOperation::CDMatrix::SetDiagonal(), CMatrixOperation::CDMatrix::SetRowElement(), CUtility::ShowDoubleVector(), and CMatrixOperation::SubstractVectors().

 {
     CComplex        rtnComplex;
 
     if (nIndex > GetSize())
     {
         throw ERROR_OUT_OF_RANGE;
         return rtnComplex;
     }
 
     rtnComplex.SetComplexNumber(m_vectValueRealBuffer[nIndex], m_vectValueImaginaryBuffer[nIndex]);
     return rtnComplex;
 }

Here is the call graph for this function:

Here is the caller graph for this function:

CComplex * CMatrixOperation::CVector::GetAtPt ( unsigned int nIndex )

Get element value from specific index.

Parameters

nIndex Specific element index that want to get

Returns: Vector class pointer

Definition at line 83 of file MatrixOperation.cpp.

References ERROR_OUT_OF_RANGE.

Referenced by MinusVector(), and PlusVector().

 {
     if (nIndex > GetSize())
     {
         throw ERROR_OUT_OF_RANGE;
         return NULL;
     }
 
     m_rtnTemp.SetComplexNumber(m_vectValueRealBuffer[nIndex], m_vectValueImaginaryBuffer[nIndex]);
     return &m_rtnTemp;
 }

Here is the caller graph for this function:

double CMatrixOperation::CVector::GetNorm ( bool bMPI = false )

Getting norm of vector.

Parameters

bMPI	Currently running under MPI or not

Returns: Norm value

Definition at line 231 of file MatrixOperation.cpp.

References CMPIManager::AllReduceDouble(), and LOOP_OPTIMIZE_COUNT.

Referenced by CLanczosResultAudit::AuditResult_EV(), CHamiltonianBuilder::BuildOffsiteMatrixFor10Band(), CLanczosMethod::DoResidualCheck(), CMatrixOperation::IsSame(), CLanczosMethod::LanczosIterationLoop(), CLanczosMethod::MergeDegeneratedEigenvalues(), and CSPLoop::SolvePoisson().

 {
     unsigned int    i;
     CComplex        PowerTotal;
     double          fTotal = 0.0;
     unsigned int    nLeft = m_nValueCount % LOOP_OPTIMIZE_COUNT;
     double          fNorm;
     double          *pReal = m_vectValueRealBuffer.data();
     double          *pImaginary = m_vectValueImaginaryBuffer.data();
 
 #pragma omp parallel for reduction(+:fTotal)
     for (i = 0; i < m_nValueCount; i++)
     {
         const double        fReal = pReal[i];
         const double        fImaginary = pImaginary[i];
 
         //fNorm = sqrt(m_vectValueRealBuffer[i] * m_vectValueRealBuffer[i] + m_vectValueImaginaryBuffer[i] * m_vectValueImaginaryBuffer[i]);
         /*fNorm = sqrt(fReal * fReal + fImaginary * fImaginary);
         fTotal += (fNorm * fNorm);*/
         fNorm = fReal * fReal + fImaginary * fImaginary;
         fTotal += fNorm;
     }
 
     if (bMPI)
         fTotal = CMPIManager::AllReduceDouble(fTotal);
     return sqrt(fTotal);
 }

Here is the call graph for this function:

Here is the caller graph for this function:

unsigned int CMatrixOperation::CVector::GetSize ( )

inline

Return Vector elements size.

Definition at line 71 of file MatrixOperation.h.

References m_nValueCount.

Referenced by CMatrixOperation::AddVectors(), CLanczosMethod::AppendEigenVector(), CMatrixOperation::CCSR::DiagonalOperation(), InsertVector(), CLanczosMethod::MergeDegeneratedEigenvalues(), MinusVector(), CMatrixOperation::MVMul(), operator*(), CMatrixOperation::CCSR::operator*(), operator+(), operator-(), operator=(), PlusVector(), ReorthogonalizationVector(), CLanczosMethod::SaveLanczosResult(), ScalarMultiThanMinusVector(), CMatrixOperation::ScalarMulVectors(), CMatrixOperation::CDMatrix::SetColumnElement(), CMatrixOperation::CDMatrix::SetDiagonal(), CMatrixOperation::CDMatrix::SetRowElement(), CUtility::ShowDoubleVector(), CSPLoop::SolveSchroedinger(), CMatrixOperation::SubstractVectors(), and CMatrixOperation::VVDot().

Here is the caller graph for this function:

bool CMatrixOperation::CVector::InsertVector	(	unsigned int	nStartIndex,
		CMatrixOperation::CVector *	pVector
	)

Parameters

nStartIndex	Start index that position of want to insert
pVector	Source vector

Returns: Success or fail

Definition at line 377 of file MatrixOperation.cpp.

References GetAt(), CComplex::GetImaginaryNumber(), CComplex::GetRealNumber(), and GetSize().

 {
     bool                    bRtn = false;
     unsigned int            i;
 
     if (nStartIndex > m_nValueCount || nStartIndex + pVector->GetSize() > m_nValueCount)
         return bRtn;
 
     for (i = 0; i < pVector->GetSize(); i++)
     {
         m_vectValueRealBuffer[nStartIndex + i] = pVector->GetAt(i).GetRealNumber();;
         m_vectValueImaginaryBuffer[nStartIndex + i] = pVector->GetAt(i).GetImaginaryNumber();
     }
 
     bRtn = true;
     return bRtn;
 }

Here is the call graph for this function:

void CMatrixOperation::CVector::MinusVector ( CVector * vector )

Do minus operation between vectors.

Parameters

vector vector that is used in minus operation

Definition at line 321 of file MatrixOperation.cpp.

References ERROR_WRONG_ORDER_OPERATION, GetAtPt(), CComplex::GetImaginaryNumber(), CComplex::GetRealNumber(), and GetSize().

Referenced by CLanczosResultAudit::AuditResult_EV(), CLanczosMethod::DoResidualCheck(), CMatrixOperation::Gram_schmidt(), CMatrixOperation::IsSame(), and CLanczosMethod::MergeDegeneratedEigenvalues().

 {
     unsigned int        i, nSize = GetSize();
     CComplex            *pOperand1, *pOperand2;
 
     if (nSize != vector->GetSize())
     {
         throw ERROR_WRONG_ORDER_OPERATION;
         return;
     }
 
     for (i = 0; i < nSize; i++)
     {
         pOperand1 = GetAtPt(i);
         pOperand2 = vector->GetAtPt(i);
 
         SetAt(i, pOperand1->GetRealNumber() - pOperand2->GetRealNumber(), pOperand1->GetImaginaryNumber() - pOperand2->GetImaginaryNumber());
     }
 }

Here is the call graph for this function:

Here is the caller graph for this function:

void CMatrixOperation::CVector::Normalize ( bool bMPI = false )

Normalize vector with norm.

Parameters

bMPI	Operation with MPI environment or not

Definition at line 215 of file MatrixOperation.cpp.

Referenced by CMatrixOperation::Gram_schmidt(), and CLanczosMethod::LanczosIteration().

 {
     double  fVectorSize = GetNorm(bMPI);
     unsigned int        i;
 
     for (i = 0; i < m_nValueCount; i++)
     {
         m_vectValueRealBuffer[i] /= fVectorSize;
         m_vectValueImaginaryBuffer[i] /= fVectorSize;
     }
 }

Here is the caller graph for this function:

CComplex CMatrixOperation::CVector::operator* ( CVector & vector )

operation overload for dot product with reference parameter

Parameters

vector Vector operand

Returns: Operation result

Definition at line 442 of file MatrixOperation.cpp.

References ERROR_WRONG_ORDER_OPERATION, GetAt(), and GetSize().

 {
     CComplex Rtn;
     unsigned int        i, nSize = GetSize();
 
     if (nSize != vector.GetSize())
     {
         throw ERROR_WRONG_ORDER_OPERATION;
         return Rtn;
     }
 
     for (i = 0; i < nSize; i++)
     {
         Rtn += (GetAt(i) * vector.GetAt(i));
     }
     return Rtn;
 }

Here is the call graph for this function:

CComplex CMatrixOperation::CVector::operator* ( CVector * vector )

operation overload for dot product with pointer parameter

Parameters

vector Vector operand

Returns: Operation result

Definition at line 433 of file MatrixOperation.cpp.

References operator*().

 {
     return operator*((*vector));
 }

Here is the call graph for this function:

CMatrixOperation::CVector CMatrixOperation::CVector::operator+ ( CVector & vector )

operation overload for vector plus operation with reference parameter

Parameters

vector Vector operand

Returns: Operation result

Definition at line 506 of file MatrixOperation.cpp.

References ERROR_WRONG_ORDER_OPERATION, GetAt(), GetSize(), SetAt(), and SetSize().

 {
     CVector     rtnVector;
     unsigned int    i, nSize = GetSize();
 
     if (nSize != vector.GetSize())
     {
         throw ERROR_WRONG_ORDER_OPERATION;
         return rtnVector;
     }
 
     rtnVector.SetSize(nSize);
     for (i = 0; i < nSize; i++)
     {
         rtnVector.SetAt(i, GetAt(i) + vector.GetAt(i));
     }
 
     return rtnVector;
 }

Here is the call graph for this function:

CMatrixOperation::CVector CMatrixOperation::CVector::operator+ ( CVector * vector )

operation overload for vector plus operation with pointer parameter

Parameters

vector Vector operand

Returns: Operation result

Definition at line 497 of file MatrixOperation.cpp.

 {
     return operator+((*vector));
 }

CMatrixOperation::CVector CMatrixOperation::CVector::operator- ( CVector & vector )

operation overload for vector minus operation with reference parameter

Parameters

vector Vector operand

Returns: Operation result

Definition at line 473 of file MatrixOperation.cpp.

References ERROR_WRONG_ORDER_OPERATION, GetAt(), GetSize(), SetAt(), and SetSize().

 {
     CVector         rtnVector;
     unsigned int        i, nSize = GetSize();
 
     if (nSize != vector.GetSize())
     {
         throw ERROR_WRONG_ORDER_OPERATION;
         return rtnVector;
     }
 
     rtnVector.SetSize(nSize);
 
     for (i = 0; i < nSize; i++)
     {
         rtnVector.SetAt(i, GetAt(i) - vector.GetAt(i));
     }
     return rtnVector;
 }

Here is the call graph for this function:

CMatrixOperation::CVector CMatrixOperation::CVector::operator- ( CVector * vector )

operation overload for vector minus operation with pointer parameter

Parameters

vector Vector operand

Returns: Operation result

Definition at line 464 of file MatrixOperation.cpp.

 {
     return operator-((*vector));
 }

void CMatrixOperation::CVector::operator= ( CVector & vector )

operation overload for subsitution with reference parameter

Parameters

vector Vector operand

Returns: Operation result

Definition at line 539 of file MatrixOperation.cpp.

References GetSize(), m_vectValueImaginaryBuffer, and m_vectValueRealBuffer.

 {
     unsigned int        i, nSize = vector.GetSize();
     double              *pReal = NULL, *pImaginary = NULL;
     double              *pSourceReal = NULL, *pSourceImagianry = NULL;
 
     SetSize(nSize);
 
     pReal = m_vectValueRealBuffer.data();
     pImaginary = m_vectValueImaginaryBuffer.data();
     pSourceReal = vector.m_vectValueRealBuffer.data();
     pSourceImagianry = vector.m_vectValueImaginaryBuffer.data();
 
 #pragma omp parallel for
     for (i = 0; i < nSize; i++)
     {
         pReal[i] = pSourceReal[i];
         pImaginary[i] = pSourceImagianry[i];
     }
 }

Here is the call graph for this function:

void CMatrixOperation::CVector::operator= ( CVector * vector )

operation overload for subsitution with pointer parameter

Parameters

vector Vector operand

Returns: Operation result

Definition at line 530 of file MatrixOperation.cpp.

 {
     operator=((*vector));
 }

void CMatrixOperation::CVector::PlusVector ( CVector * vector )

Do plus operation between vectors.

Parameters

vector vector that is used in plus operation

Definition at line 344 of file MatrixOperation.cpp.

References ERROR_WRONG_ORDER_OPERATION, GetAtPt(), CComplex::GetImaginaryNumber(), CComplex::GetRealNumber(), and GetSize().

Referenced by CSPLoop::executeSPLoop().

 {
     unsigned int        i, nSize = GetSize();
     CComplex            *pOperand1, *pOperand2;
 
     if (nSize != vector->GetSize())
     {
         throw ERROR_WRONG_ORDER_OPERATION;
         return;
     }
 
     for (i = 0; i < nSize; i++)
     {
         pOperand1 = GetAtPt(i);
         pOperand2 = vector->GetAtPt(i);
 
         SetAt(i, pOperand1->GetRealNumber() + pOperand2->GetRealNumber(), pOperand1->GetImaginaryNumber() + pOperand2->GetImaginaryNumber());
     }
 }

Here is the call graph for this function:

Here is the caller graph for this function:

void CMatrixOperation::CVector::ReorthogonalizationVector	(	CVector *	pVector,
		CComplex	complex
	)

Do reorthogonalization.

Parameters

pVector	Target vector for orthogonalization
complex	Input scalar

Definition at line 292 of file MatrixOperation.cpp.

References ERROR_WRONG_ORDER_OPERATION, CComplex::GetImaginaryNumber(), CComplex::GetRealNumber(), GetSize(), m_vectValueImaginaryBuffer, and m_vectValueRealBuffer.

 {
     unsigned int        i, nSize = GetSize();
     double              *pReal = NULL, *pImaginary = NULL;
     double              *pOperandReal = NULL, *pOperandImagianray = NULL;
     double              fReal = complex.GetRealNumber(), fImaginary = complex.GetImaginaryNumber();
 
     if (nSize != pVector->GetSize())
     {
         throw ERROR_WRONG_ORDER_OPERATION;
         return;
     }
 
     pReal = m_vectValueRealBuffer.data();
     pImaginary = m_vectValueImaginaryBuffer.data();
     pOperandReal = pVector->m_vectValueRealBuffer.data();
     pOperandImagianray = pVector->m_vectValueImaginaryBuffer.data();
 
 #pragma omp parallel for
     for (i = 0; i < nSize; i++)
     {
         pReal[i] = pReal[i] - fReal* pOperandReal[i] + fImaginary * pOperandImagianray[i];
         pImaginary[i] = pImaginary[i] - fReal * pOperandImagianray[i] - fImaginary * pOperandReal[i];
     }
 }

Here is the call graph for this function:

void CMatrixOperation::CVector::ResetValue ( )

Reset every element to zero.

Definition at line 113 of file MatrixOperation.cpp.

 {
     unsigned int        i;
 
     for (i = 0; i < GetSize(); i++)
     {
         m_vectValueRealBuffer[i] = 0.;
         m_vectValueImaginaryBuffer[i] = 0.;
     }
     
 }

void CMatrixOperation::CVector::ScalarDivision ( CComplex Scalar )

Scalar division operation.

Parameters

Scalar Scalar value that want to use in operation

Definition at line 163 of file MatrixOperation.cpp.

References CComplex::GetImaginaryNumber(), CComplex::GetRealNumber(), and CComplex::SetComplexNumber().

Referenced by CLanczosMethod::LanczosIterationLoop(), and operator/().

 {
     unsigned int            i;
     CComplex                tempComplex;
 
     for (i = 0; i < GetSize(); i++)
     {
         tempComplex.SetComplexNumber(m_vectValueRealBuffer[i], m_vectValueImaginaryBuffer[i]);
         tempComplex = tempComplex / Scalar;
 
         m_vectValueRealBuffer[i] = tempComplex.GetRealNumber();
         m_vectValueImaginaryBuffer[i] = tempComplex.GetImaginaryNumber();
     }
 }

Here is the call graph for this function:

Here is the caller graph for this function:

void CMatrixOperation::CVector::ScalarDivision ( double fScalar )

Scalar division operation.

Parameters

fScalar Scalar value that want to use in operation

Definition at line 181 of file MatrixOperation.cpp.

 {
     double                  *pReal = NULL, *pImaginary = NULL;
     unsigned int            i;
     unsigned int            nSize = GetSize();
 
     pReal = m_vectValueRealBuffer.data();
     pImaginary = m_vectValueImaginaryBuffer.data();
 
 #pragma omp parallel for
     for (i = 0; i < nSize ; i++)
     {
         /*m_vectValueRealBuffer[i] /= fScalar;
         m_vectValueImaginaryBuffer[i] /= fScalar;*/
         pReal[i] /= fScalar;
         pImaginary[i] /= fScalar;
     }
 }

void CMatrixOperation::CVector::ScalarMultiple ( CComplex Scalar )

Scalar multiple operation.

Parameters

Scalar Scalar value that want to use in operation

Definition at line 128 of file MatrixOperation.cpp.

References CComplex::GetImaginaryNumber(), CComplex::GetRealNumber(), and CComplex::SetComplexNumber().

Referenced by CLanczosResultAudit::AuditResult_EV(), CLanczosMethod::DoResidualCheck(), CMatrixOperation::Gram_schmidt(), CLanczosMethod::MergeDegeneratedEigenvalues(), and operator*().

 {
     unsigned int            i;
     CComplex                tempComplex;
 
     for (i = 0; i < GetSize(); i++)
     {
         tempComplex.SetComplexNumber(m_vectValueRealBuffer[i], m_vectValueImaginaryBuffer[i]);
         tempComplex = tempComplex * Scalar;
 
         m_vectValueRealBuffer[i] = tempComplex.GetRealNumber();
         m_vectValueImaginaryBuffer[i] = tempComplex.GetImaginaryNumber();
     }
 
     return;
 }

Here is the call graph for this function:

Here is the caller graph for this function:

void CMatrixOperation::CVector::ScalarMultiple ( double fScalar )

Scalar multiple operation.

Parameters

fScalar Scalar value that want to use in operation

Definition at line 148 of file MatrixOperation.cpp.

 {
     //double                    fReal, fImaginary;
     unsigned int            i;
 
     for (i = 0; i < GetSize(); i++)
     {
         m_vectValueRealBuffer[i] *= fScalar;
         m_vectValueImaginaryBuffer[i] *= fScalar;
     }
 }

void CMatrixOperation::CVector::ScalarMultiThanMinusVector	(	double	fScalar,
		CVector *	vector
	)

Do minus operation after scalar multiple to operand between vectors.

Parameters

fScalar	Scalar factor
vector	Vector operand for minus operation

Definition at line 263 of file MatrixOperation.cpp.

References ERROR_WRONG_ORDER_OPERATION, GetSize(), m_vectValueImaginaryBuffer, and m_vectValueRealBuffer.

Referenced by CLanczosMethod::LanczosIterationLoop().

 {
     unsigned int        i, nSize = GetSize();
     double              *pReal = NULL, *pImaginary = NULL;
     double              *pOperandReal = NULL, *pOperandImagianray = NULL;
 
     if (nSize != vector->GetSize())
     {
         throw ERROR_WRONG_ORDER_OPERATION;
         return;
     }
 
     pReal = m_vectValueRealBuffer.data();
     pImaginary = m_vectValueImaginaryBuffer.data();
     pOperandReal = vector->m_vectValueRealBuffer.data();
     pOperandImagianray = vector->m_vectValueImaginaryBuffer.data();
 
 #pragma omp parallel for
     for (i = 0; i < nSize; i++)
     {
         pReal[i] = pReal[i] - fScalar * pOperandReal[i];
         pImaginary[i] = pImaginary[i] - fScalar * pOperandImagianray[i];
     }
 }

Here is the call graph for this function:

Here is the caller graph for this function:

bool CMatrixOperation::CVector::Serialize	(	double *	pBuffer,
		bool	bStore
	)

Serialize vector.

Parameters

pBuffer	Saving/Loading buffer
bStore	Saving(true) or Loading(false)

Returns: Operation success or not

Definition at line 400 of file MatrixOperation.cpp.

Referenced by CMPIManager::ReceiveVectorSync(), and CMPIManager::SendVectorSync().

 {
     double              *pReal = NULL, *pImaginariy = NULL;
     bool                bRtn = false;
 
     if( NULL == pBuffer )
         return bRtn;
 
     if( bStore)
     {
         pReal = m_vectValueRealBuffer.data();
         memcpy(pReal, pBuffer, m_nValueCount * sizeof(double));
 
         pImaginariy = m_vectValueImaginaryBuffer.data();
         memcpy(pImaginariy, pBuffer + m_nValueCount, m_nValueCount * sizeof(double));
     }
     else
     {
         pReal = m_vectValueRealBuffer.data();
         memcpy(pBuffer, pReal, m_nValueCount * sizeof(double));
 
         pImaginariy = m_vectValueImaginaryBuffer.data();
         memcpy(pBuffer + m_nValueCount, pImaginariy, m_nValueCount * sizeof(double));
     }
 
     bRtn = true;
     return bRtn;
 }

Here is the caller graph for this function:

void CMatrixOperation::CVector::SetAt	(	unsigned int	nIndex,
		CComplex	value
	)

Set element value in specific index, Call by value.

Parameters

nIndex	Specific element index that want to set
value	element value

Definition at line 53 of file MatrixOperation.cpp.

References CComplex::GetImaginaryNumber(), and CComplex::GetRealNumber().

Referenced by CMatrixOperation::AddVectors(), CTBMS_Solver::ApplyPhPotential(), CHamiltonianBuilder::BuildHaaDiagonalFor10Band(), CHamiltonianBuilder::BuildHccDiagonalFor10Band(), CZincblendeParam::BuildMatrix(), CGeometricShape::BuildPEBiasVector(), CGeometricShape::BuildPEWaveVector(), CLanczosMethod::BuildWaveFunction(), CLanczosMethod::CalculateEigenVector(), CMatrixOperation::CCSR::DiagonalOperation(), CSPLoop::executeSPLoop(), CSPLoop::GetChargeProfile(), CMatrixOperation::CDMatrix::GetColumnByVector(), CMatrixOperation::CDMatrix::GetRowByVector(), CLanczosMethod::LanczosIteration(), CMatrixOperation::MVMul(), CMatrixOperation::CCSR::operator*(), operator+(), operator-(), CLanczosMethod::RecalcuWaveFunction(), IGeometricUnitCellInfo::RotateAxis(), IGeometricUnitCellInfo::RotateNeighbor(), CHamiltonianBuilder::RotateTransMatrixFor10Band(), CMatrixOperation::ScalarMulVectors(), and CMatrixOperation::SubstractVectors().

 {
     SetAt(nIndex, value.GetRealNumber(), value.GetImaginaryNumber());
 }

Here is the call graph for this function:

Here is the caller graph for this function:

void CMatrixOperation::CVector::SetAt	(	unsigned int	nIndex,
		double	fReal,
		double	fImaginary
	)

Set element value in specific index.

Parameters

nIndex	Specific element index that want to set
fReal	Real number of element value
fImaginary	Imaginary number of element value

Definition at line 68 of file MatrixOperation.cpp.

References ERROR_OUT_OF_RANGE, and THROW_END_EXIT.

 {
     if (nIndex > GetSize())
     {
         THROW_END_EXIT(ERROR_OUT_OF_RANGE);
     }
 
     m_vectValueRealBuffer[nIndex] = fReal;
     m_vectValueImaginaryBuffer[nIndex] = fImaginary;
 }

void CMatrixOperation::CVector::SetAtEx	(	unsigned int	nIndex,
		CComplex *	pValue
	)

Set element value in specific index, Call by reference.

Definition at line 58 of file MatrixOperation.cpp.

References CComplex::GetImaginaryNumber(), and CComplex::GetRealNumber().

 {
     SetAt(nIndex, pValue->GetRealNumber(), pValue->GetImaginaryNumber());
 }

Here is the call graph for this function:

void CMatrixOperation::CVector::SetSize ( unsigned int nSize )

Set Vector elements size.

Parameters

nSize Vector elements size

Definition at line 39 of file MatrixOperation.cpp.

Referenced by CLanczosMethod::AppendEigenVector(), CTBMS_Solver::ApplyPhPotential(), CLanczosResultAudit::AuditResult_EV(), CHamiltonianBuilder::BuildHonsiteBasicMatrixFor10Band(), CZincblendeParam::BuildMatrix(), CGeometricShape::BuildPEBiasVector(), CGeometricShape::BuildPEWaveVector(), CLanczosMethod::BuildWaveFunction(), CMatrixOperation::CCSR::DiagonalOperation(), CLanczosMethod::DoResidualCheck(), CSPLoop::executeSPLoop(), CMatrixOperation::CDMatrix::GetColumnByVector(), CMatrixOperation::CDMatrix::GetRowByVector(), CLanczosMethod::LanczosIteration(), CLanczosMethod::LanczosIterationLoop(), CLanczosMethod::MergeDegeneratedEigenvalues(), CMPIManager::MergeVector(), CMatrixOperation::MVMul(), CMatrixOperation::MVMulOptimal(), CMatrixOperation::MVMulOptimal_Nooffload(), CMatrixOperation::CCSR::operator*(), operator+(), operator-(), IGeometricUnitCellInfo::RotateAxis(), IGeometricUnitCellInfo::RotateNeighbor(), CHamiltonianBuilder::RotateTransMatrixFor10Band(), and CLanczosMethod::SortSolution().

 {
     if (nSize == m_nValueCount)
         return;
 
     m_nValueCount = nSize;
     m_vectValueRealBuffer.resize(nSize);
     m_vectValueImaginaryBuffer.resize(nSize);
 }

Here is the caller graph for this function:

Friends And Related Function Documentation

friend class CLanczosMethod

friend

Definition at line 109 of file MatrixOperation.h.

friend class CMatrixOperation

friend

Definition at line 110 of file MatrixOperation.h.

friend class CMPIManager

friend

Definition at line 111 of file MatrixOperation.h.

friend class CSPLoop

friend

Definition at line 112 of file MatrixOperation.h.

Member Data Documentation

unsigned int CMatrixOperation::CVector::m_nValueCount

private

A numbers of elements.

Definition at line 106 of file MatrixOperation.h.

Referenced by CVector(), and GetSize().

CComplex CMatrixOperation::CVector::m_rtnTemp

private

Temporary variable for return value.

Definition at line 107 of file MatrixOperation.h.

double_vector_t CMatrixOperation::CVector::m_vectValueImaginaryBuffer

private

A member variable for saving none zero elements.

Definition at line 105 of file MatrixOperation.h.

Referenced by CLanczosMethod::LanczosIterationLoop(), CMPIManager::MergeVector(), CMPIManager::MergeVectorEx_Optimal(), CMPIManager::MergeVectorOptimal(), CMatrixOperation::MVMul(), CMatrixOperation::MVMulEx_Optimal(), CMatrixOperation::MVMulOptimal(), CMatrixOperation::MVMulOptimal_Nooffload(), operator=(), ReorthogonalizationVector(), ScalarMultiThanMinusVector(), and CMatrixOperation::VVDot().

double_vector_t CMatrixOperation::CVector::m_vectValueRealBuffer

private

A member variable for saving none zero elements.

Definition at line 104 of file MatrixOperation.h.

Referenced by CSPLoop::executeSPLoop(), CLanczosMethod::LanczosIterationLoop(), CMPIManager::MergeVector(), CMPIManager::MergeVectorEx_Optimal(), CMPIManager::MergeVectorOptimal(), CMatrixOperation::MVMul(), CMatrixOperation::MVMulEx_Optimal(), CMatrixOperation::MVMulOptimal(), CMatrixOperation::MVMulOptimal_Nooffload(), operator=(), ReorthogonalizationVector(), ScalarMultiThanMinusVector(), CSPLoop::SolveSchroedinger(), and CMatrixOperation::VVDot().

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

D:/For Doxygen/MatrixOperation.h
D:/For Doxygen/MatrixOperation.cpp

Classes

Public Types

Public Member Functions

Private Attributes

Friends

Detailed Description

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Friends And Related Function Documentation

Member Data Documentation