votca 2026-dev
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votca::xtp::PPM Class Reference

#include <ppm.h>

Public Member Functions

 PPM ()
void PPM_construct_parameters (const RPA &rpa)
void PPM_construct_parameters (const RPA_UKS &rpa)
const Eigen::VectorXd & getPpm_weight () const
const Eigen::VectorXd & getPpm_freq () const
const Eigen::MatrixXd & getPpm_phi () const
Index InvalidModes () const
void FreeMatrix ()

Private Attributes

double screening_r
double screening_i
Eigen::MatrixXd ppm_phi_
Eigen::VectorXd ppm_freq_
Eigen::VectorXd ppm_weight_
Index invalid_modes_ = 0

Detailed Description

Definition at line 32 of file ppm.h.

Constructor & Destructor Documentation

◆ PPM()

votca::xtp::PPM::PPM ( )
inline

Definition at line 34 of file ppm.h.

Member Function Documentation

◆ FreeMatrix()

void votca::xtp::PPM::FreeMatrix ( )
inline

Definition at line 46 of file ppm.h.

◆ getPpm_freq()

const Eigen::VectorXd & votca::xtp::PPM::getPpm_freq ( ) const
inline

Definition at line 40 of file ppm.h.

◆ getPpm_phi()

const Eigen::MatrixXd & votca::xtp::PPM::getPpm_phi ( ) const
inline

Definition at line 41 of file ppm.h.

◆ getPpm_weight()

const Eigen::VectorXd & votca::xtp::PPM::getPpm_weight ( ) const
inline

Definition at line 39 of file ppm.h.

◆ InvalidModes()

Index votca::xtp::PPM::InvalidModes ( ) const
inline

Modes with weight > 0 whose fit gives a negative squared frequency (their frequency is taken from the absolute value).

Definition at line 44 of file ppm.h.

◆ PPM_construct_parameters() [1/2]

void votca::xtp::PPM::PPM_construct_parameters ( const RPA & rpa)

Definition at line 70 of file ppm.cc.

◆ PPM_construct_parameters() [2/2]

void votca::xtp::PPM::PPM_construct_parameters ( const RPA_UKS & rpa)

Definition at line 75 of file ppm.cc.

Member Data Documentation

◆ invalid_modes_

Index votca::xtp::PPM::invalid_modes_ = 0
private

Definition at line 55 of file ppm.h.

◆ ppm_freq_

Eigen::VectorXd votca::xtp::PPM::ppm_freq_
private

Definition at line 53 of file ppm.h.

◆ ppm_phi_

Eigen::MatrixXd votca::xtp::PPM::ppm_phi_
private

Definition at line 52 of file ppm.h.

◆ ppm_weight_

Eigen::VectorXd votca::xtp::PPM::ppm_weight_
private

Definition at line 54 of file ppm.h.

◆ screening_i

double votca::xtp::PPM::screening_i
private

Definition at line 50 of file ppm.h.

◆ screening_r

double votca::xtp::PPM::screening_r
private

Definition at line 49 of file ppm.h.

The documentation for this class was generated from the following files:
  • xtp/include/votca/xtp/ppm.h
  • xtp/src/libxtp/gwbse/ppm.cc