votca::xtp::ImaginaryAxisIntegration Class Reference

#include <ImaginaryAxisIntegration.h>

Collaboration diagram for votca::xtp::ImaginaryAxisIntegration:

Classes
struct	options

Public Member Functions
	ImaginaryAxisIntegration (const Eigen::VectorXd &energies, const TCMatrix_gwbse &Mmn)
void	configure (options opt, const RPA &rpa, const Eigen::MatrixXd &kDielMxInv_zero)
double	SigmaGQDiag (double frequency, Index gw_level, double eta) const

Private Member Functions
void	CalcDielInvVector (const RPA &rpa, const Eigen::MatrixXd &kDielMxInv_zero)

Private Attributes
options	opt_
std::unique_ptr< GaussianQuadratureBase >	gq_ = nullptr
const Eigen::VectorXd &	energies_
std::vector< Eigen::MatrixXd >	dielinv_matrices_r_
const TCMatrix_gwbse &	Mmn_

Detailed Description

Definition at line 33 of file ImaginaryAxisIntegration.h.

Constructor & Destructor Documentation

ImaginaryAxisIntegration()

votca::xtp::ImaginaryAxisIntegration::ImaginaryAxisIntegration	(	const Eigen::VectorXd &	energies,
		const TCMatrix_gwbse &	Mmn
	)

Definition at line 30 of file ImaginaryAxisIntegration.cc.

Member Function Documentation

CalcDielInvVector()

void votca::xtp::ImaginaryAxisIntegration::CalcDielInvVector ( const RPA &  rpa, const Eigen::MatrixXd &  kDielMxInv_zero  )

private

Definition at line 45 of file ImaginaryAxisIntegration.cc.

configure()

void votca::xtp::ImaginaryAxisIntegration::configure	(	options	opt,
		const RPA &	rpa,
		const Eigen::MatrixXd &	kDielMxInv_zero
	)

Definition at line 34 of file ImaginaryAxisIntegration.cc.

SigmaGQDiag()

double votca::xtp::ImaginaryAxisIntegration::SigmaGQDiag	(	double	frequency,
		Index	gw_level,
		double	eta
	)		const

Definition at line 87 of file ImaginaryAxisIntegration.cc.

Member Data Documentation

dielinv_matrices_r_

std::vector<Eigen::MatrixXd> votca::xtp::ImaginaryAxisIntegration::dielinv_matrices_r_

private

Definition at line 65 of file ImaginaryAxisIntegration.h.

energies_

const Eigen::VectorXd& votca::xtp::ImaginaryAxisIntegration::energies_

private

Definition at line 64 of file ImaginaryAxisIntegration.h.

gq_

std::unique_ptr<GaussianQuadratureBase> votca::xtp::ImaginaryAxisIntegration::gq_ = nullptr

private

Definition at line 58 of file ImaginaryAxisIntegration.h.

Mmn_

const TCMatrix_gwbse& votca::xtp::ImaginaryAxisIntegration::Mmn_

private

Definition at line 66 of file ImaginaryAxisIntegration.h.

opt_

options votca::xtp::ImaginaryAxisIntegration::opt_

private

Definition at line 56 of file ImaginaryAxisIntegration.h.

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

• xtp/include/votca/xtp/ImaginaryAxisIntegration.h
• xtp/src/libxtp/ImaginaryAxisIntegration.cc