sisi4s::CcsdPreconditioner< F > Class Template Reference

Implements the diagonal preconditionar for the davidson method. More...

#include <CcsdPreconditioner.hpp>

Inheritance diagram for sisi4s::CcsdPreconditioner< F >:

Collaboration diagram for sisi4s::CcsdPreconditioner< F >:

Public Types
typedef SDFockVector< F >	V

Public Member Functions
	CcsdPreconditioner ()
	~CcsdPreconditioner ()
CcsdPreconditioner &	setTai (Tensor< F > *t)
	Setters for the main tensors.
CcsdPreconditioner &	setTabij (Tensor< F > *t)
CcsdPreconditioner &	setFij (Tensor< F > *t)
CcsdPreconditioner &	setFab (Tensor< F > *t)
CcsdPreconditioner &	setVabcd (Tensor< F > *t)
CcsdPreconditioner &	setVijab (Tensor< F > *t)
CcsdPreconditioner &	setViajb (Tensor< F > *t)
CcsdPreconditioner &	setVijkl (Tensor< F > *t)
CcsdPreconditioner &	setSpinFlip (bool t)
CcsdPreconditioner &	setRandom (bool t)
CcsdPreconditioner &	setRandomSigma (double t)
std::vector< SDFockVector< F > >	getInitialBasis (int eigenVectorsCount)
	Get initial basis.
SFockVector< F >	getCorrection (const complex eigenValue, SFockVector< F > &residuum)
SDFockVector< F >	getCorrection (const complex eigenValue, SDFockVector< F > &residuum)
SDTFockVector< F >	getCorrection (const complex eigenValue, SDTFockVector< F > &residuum)
void	calculateDiagonal ()
std::shared_ptr< V >	getDiagonal ()

Public Attributes
Tensor< F > *	Tai = nullptr
Tensor< F > *	Tabij = nullptr
Tensor< F > *	Fij = nullptr
Tensor< F > *	Fab = nullptr
Tensor< F > *	Vabcd = nullptr
Tensor< F > *	Vijab = nullptr
Tensor< F > *	Viajb = nullptr
Tensor< F > *	Vijkl = nullptr
std::shared_ptr< SDFockVector< F > >	diagonalH

Detailed Description

template<typename F>
class sisi4s::CcsdPreconditioner< F >

Implements the diagonal preconditionar for the davidson method.

Template Parameters

F	It is the field variable to be used, in general it will be complex

Member Typedef Documentation

V

template<typename F >

typedef SDFockVector<F> sisi4s::CcsdPreconditioner< F >::V

Constructor & Destructor Documentation

CcsdPreconditioner()

template<typename F >

sisi4s::CcsdPreconditioner< F >::CcsdPreconditioner ( )

inline

~CcsdPreconditioner()

template<typename F >

sisi4s::CcsdPreconditioner< F >::~CcsdPreconditioner ( )

inline

Member Function Documentation

calculateDiagonal()

template<typename F >

void CcsdPreconditioner::calculateDiagonal

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getCorrection() [1/3]

template<typename F >

SDFockVector< F > CcsdPreconditioner::getCorrection	(	const complex	eigenValue,
		SDFockVector< F > &	residuum
	)

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getCorrection() [2/3]

template<typename F >

SDTFockVector< F > CcsdPreconditioner::getCorrection	(	const complex	eigenValue,
		SDTFockVector< F > &	residuum
	)

getCorrection() [3/3]

template<typename F >

SFockVector< F > CcsdPreconditioner::getCorrection	(	const complex	eigenValue,
		SFockVector< F > &	residuum
	)

getDiagonal()

template<typename F >

std::shared_ptr< V > sisi4s::CcsdPreconditioner< F >::getDiagonal ( )

inline

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getInitialBasis()

template<typename F >

std::vector< SDFockVector< F > > CcsdPreconditioner::getInitialBasis

(

int

eigenVectorsCount

)

Get initial basis.

Parameters

[in]

eigenVectorsCount

Number of eigen vectors

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setFab()

template<typename F >

CcsdPreconditioner & sisi4s::CcsdPreconditioner< F >::setFab ( Tensor< F > *  t )

inline

setFij()

template<typename F >

CcsdPreconditioner & sisi4s::CcsdPreconditioner< F >::setFij ( Tensor< F > *  t )

inline

setRandom()

template<typename F >

CcsdPreconditioner & sisi4s::CcsdPreconditioner< F >::setRandom ( bool  t )

inline

setRandomSigma()

template<typename F >

CcsdPreconditioner & sisi4s::CcsdPreconditioner< F >::setRandomSigma ( double  t )

inline

setSpinFlip()

template<typename F >

CcsdPreconditioner & sisi4s::CcsdPreconditioner< F >::setSpinFlip ( bool  t )

inline

setTabij()

template<typename F >

CcsdPreconditioner & sisi4s::CcsdPreconditioner< F >::setTabij ( Tensor< F > *  t )

inline

setTai()

template<typename F >

CcsdPreconditioner & sisi4s::CcsdPreconditioner< F >::setTai ( Tensor< F > *  t )

inline

Setters for the main tensors.

setVabcd()

template<typename F >

CcsdPreconditioner & sisi4s::CcsdPreconditioner< F >::setVabcd ( Tensor< F > *  t )

inline

setViajb()

template<typename F >

CcsdPreconditioner & sisi4s::CcsdPreconditioner< F >::setViajb ( Tensor< F > *  t )

inline

setVijab()

template<typename F >

CcsdPreconditioner & sisi4s::CcsdPreconditioner< F >::setVijab ( Tensor< F > *  t )

inline

setVijkl()

template<typename F >

CcsdPreconditioner & sisi4s::CcsdPreconditioner< F >::setVijkl ( Tensor< F > *  t )

inline

Member Data Documentation

diagonalH

template<typename F >

std::shared_ptr< SDFockVector<F> > sisi4s::CcsdPreconditioner< F >::diagonalH

Fab

template<typename F >

Tensor<F>* sisi4s::CcsdPreconditioner< F >::Fab = nullptr

Fij

template<typename F >

Tensor<F>* sisi4s::CcsdPreconditioner< F >::Fij = nullptr

Tabij

template<typename F >

Tensor<F>* sisi4s::CcsdPreconditioner< F >::Tabij = nullptr

Tai

template<typename F >

Tensor<F>* sisi4s::CcsdPreconditioner< F >::Tai = nullptr

Vabcd

template<typename F >

Tensor<F>* sisi4s::CcsdPreconditioner< F >::Vabcd = nullptr

Viajb

template<typename F >

Tensor<F>* sisi4s::CcsdPreconditioner< F >::Viajb = nullptr

Vijab

template<typename F >

Tensor<F>* sisi4s::CcsdPreconditioner< F >::Vijab = nullptr

Vijkl

template<typename F >

Tensor<F>* sisi4s::CcsdPreconditioner< F >::Vijkl = nullptr

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

• CcsdPreconditioner.hpp
• CcsdPreconditioner.cxx