votca::xtp::Sigma_base Class Reference

#include <sigma_base.h>

Inheritance diagram for votca::xtp::Sigma_base:

Collaboration diagram for votca::xtp::Sigma_base:

Classes
struct	options

Public Member Functions
	Sigma_base (TCMatrix_gwbse &Mmn, const RPA &rpa)
virtual	~Sigma_base ()=default
void	configure (options opt)
Eigen::MatrixXd	CalcExchangeMatrix () const
Eigen::VectorXd	CalcCorrelationDiag (const Eigen::VectorXd &frequencies) const
Eigen::MatrixXd	CalcCorrelationOffDiag (const Eigen::VectorXd &frequencies) const
virtual void	PrepareScreening ()=0
virtual double	CalcCorrelationDiagElementDerivative (Index gw_level, double frequency) const =0
virtual double	CalcCorrelationDiagElement (Index gw_level, double frequency) const =0
virtual double	CalcCorrelationOffDiagElement (Index gw_level1, Index gw_level2, double frequency1, double frequency2) const =0
void	ResetDiagEvalCounter () const
std::size_t	GetDiagEvalCounter () const

Protected Member Functions
void	CountDiagEval () const

Protected Attributes
options	opt_
TCMatrix_gwbse &	Mmn_
const RPA &	rpa_
Index	qptotal_ = 0
Index	rpatotal_ = 0

Private Attributes
std::atomic< std::size_t >	diag_eval_counter_ {0}

Detailed Description

Definition at line 33 of file sigma_base.h.

Constructor & Destructor Documentation

Sigma_base()

votca::xtp::Sigma_base::Sigma_base ( TCMatrix_gwbse & Mmn, const RPA & rpa )

inline

Definition at line 35 of file sigma_base.h.

~Sigma_base()

virtual votca::xtp::Sigma_base::~Sigma_base ( )

virtualdefault

Member Function Documentation

CalcCorrelationDiag()

Eigen::VectorXd votca::xtp::Sigma_base::CalcCorrelationDiag

(

const Eigen::VectorXd &

frequencies

)

const

Definition at line 54 of file sigma_base.cc.

CalcCorrelationDiagElement()

virtual double votca::xtp::Sigma_base::CalcCorrelationDiagElement ( Index gw_level, double frequency ) const

pure virtual

Implemented in votca::xtp::Sigma_CDA, votca::xtp::Sigma_Exact, and votca::xtp::Sigma_PPM.

CalcCorrelationDiagElementDerivative()

virtual double votca::xtp::Sigma_base::CalcCorrelationDiagElementDerivative ( Index gw_level, double frequency ) const

pure virtual

Implemented in votca::xtp::Sigma_CDA, votca::xtp::Sigma_Exact, and votca::xtp::Sigma_PPM.

CalcCorrelationOffDiag()

Eigen::MatrixXd votca::xtp::Sigma_base::CalcCorrelationOffDiag

(

const Eigen::VectorXd &

frequencies

)

const

Definition at line 65 of file sigma_base.cc.

CalcCorrelationOffDiagElement()

virtual double votca::xtp::Sigma_base::CalcCorrelationOffDiagElement ( Index gw_level1, Index gw_level2, double frequency1, double frequency2 ) const

pure virtual

Implemented in votca::xtp::Sigma_CDA, votca::xtp::Sigma_Exact, and votca::xtp::Sigma_PPM.

CalcExchangeMatrix()

Eigen::MatrixXd votca::xtp::Sigma_base::CalcExchangeMatrix

(

)

const

Definition at line 36 of file sigma_base.cc.

configure()

void votca::xtp::Sigma_base::configure ( options opt )

inline

Definition at line 51 of file sigma_base.h.

CountDiagEval()

void votca::xtp::Sigma_base::CountDiagEval ( ) const

inlineprotected

Definition at line 88 of file sigma_base.h.

GetDiagEvalCounter()

std::size_t votca::xtp::Sigma_base::GetDiagEvalCounter ( ) const

inline

Definition at line 78 of file sigma_base.h.

PrepareScreening()

virtual void votca::xtp::Sigma_base::PrepareScreening ( )

pure virtual

Implemented in votca::xtp::Sigma_CDA, votca::xtp::Sigma_Exact, and votca::xtp::Sigma_PPM.

ResetDiagEvalCounter()

void votca::xtp::Sigma_base::ResetDiagEvalCounter ( ) const

inline

Definition at line 77 of file sigma_base.h.

Member Data Documentation

diag_eval_counter_

std::atomic<std::size_t> votca::xtp::Sigma_base::diag_eval_counter_ {0}

mutableprivate

Definition at line 91 of file sigma_base.h.

Mmn_

TCMatrix_gwbse& votca::xtp::Sigma_base::Mmn_

protected

Definition at line 82 of file sigma_base.h.

opt_

options votca::xtp::Sigma_base::opt_

protected

Definition at line 81 of file sigma_base.h.

qptotal_

Index votca::xtp::Sigma_base::qptotal_ = 0

protected

Definition at line 85 of file sigma_base.h.

rpa_

const RPA& votca::xtp::Sigma_base::rpa_

protected

Definition at line 83 of file sigma_base.h.

rpatotal_

Index votca::xtp::Sigma_base::rpatotal_ = 0

protected

Definition at line 86 of file sigma_base.h.

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

• xtp/include/votca/xtp/sigma_base.h
• xtp/src/libxtp/gwbse/sigma_base.cc