votca::xtp::OscillatorStrength_filter Class Reference

OscillatorStrength_filter tracks states according to their f-value only works for singlets. More...

#include <OscillatorStrength_filter.h>

Inheritance diagram for votca::xtp::OscillatorStrength_filter:

Collaboration diagram for votca::xtp::OscillatorStrength_filter:

Public Member Functions
std::string	Identify () const final
void	Initialize (const tools::Property &options) final
void	Info (Logger &log) const final
bool	NeedsInitialState () const final
void	UpdateHist (const Orbitals &orb, QMState state) final
std::vector< Index >	CalcIndeces (const Orbitals &orb, QMStateType type) const final
void	WriteToCpt (CheckpointWriter &w) final
void	ReadFromCpt (CheckpointReader &r) final
Public Member Functions inherited from votca::xtp::StateFilter_base
	StateFilter_base ()=default
virtual	~StateFilter_base ()=default
virtual std::string	Identify () const =0
virtual void	Initialize (const tools::Property &)=0
virtual void	Info (Logger &) const =0
virtual bool	NeedsInitialState () const =0
virtual void	UpdateHist (const Orbitals &, QMState)=0
virtual std::vector< Index >	CalcIndeces (const Orbitals &, QMStateType) const =0
virtual void	WriteToCpt (CheckpointWriter &)=0
virtual void	ReadFromCpt (CheckpointReader &)=0

Private Attributes
double	threshold_ = 0.0

Additional Inherited Members
Protected Member Functions inherited from votca::xtp::StateFilter_base
std::vector< Index >	ReduceAndSortIndecesUp (const Eigen::VectorXd &overlap, Index offset, double threshold) const
std::vector< Index >	ReduceAndSortIndecesDown (const Eigen::VectorXd &overlap, Index offset, double threshold) const

Detailed Description

OscillatorStrength_filter tracks states according to their f-value only works for singlets.

Definition at line 38 of file OscillatorStrength_filter.h.

Member Function Documentation

CalcIndeces()

std::vector< Index > votca::xtp::OscillatorStrength_filter::CalcIndeces ( const Orbitals &  orb, QMStateType  type  ) const

finalvirtual

Implements votca::xtp::StateFilter_base.

Definition at line 38 of file OscillatorStrength_filter.cc.

Identify()

std::string votca::xtp::OscillatorStrength_filter::Identify ( ) const

inlinefinalvirtual

Implements votca::xtp::StateFilter_base.

Definition at line 40 of file OscillatorStrength_filter.h.

Info()

void votca::xtp::OscillatorStrength_filter::Info ( Logger &  log ) const

finalvirtual

Implements votca::xtp::StateFilter_base.

Definition at line 30 of file OscillatorStrength_filter.cc.

Initialize()

void votca::xtp::OscillatorStrength_filter::Initialize ( const tools::Property &  options )

finalvirtual

Implements votca::xtp::StateFilter_base.

Definition at line 26 of file OscillatorStrength_filter.cc.

NeedsInitialState()

bool votca::xtp::OscillatorStrength_filter::NeedsInitialState ( ) const

inlinefinalvirtual

Implements votca::xtp::StateFilter_base.

Definition at line 46 of file OscillatorStrength_filter.h.

ReadFromCpt()

void votca::xtp::OscillatorStrength_filter::ReadFromCpt ( CheckpointReader &  r )

finalvirtual

Implements votca::xtp::StateFilter_base.

Definition at line 59 of file OscillatorStrength_filter.cc.

UpdateHist()

void votca::xtp::OscillatorStrength_filter::UpdateHist ( const Orbitals &  orb, QMState  state  )

finalvirtual

Implements votca::xtp::StateFilter_base.

Definition at line 36 of file OscillatorStrength_filter.cc.

WriteToCpt()

void votca::xtp::OscillatorStrength_filter::WriteToCpt ( CheckpointWriter &  w )

finalvirtual

Implements votca::xtp::StateFilter_base.

Definition at line 55 of file OscillatorStrength_filter.cc.

Member Data Documentation

threshold_

double votca::xtp::OscillatorStrength_filter::threshold_ = 0.0

private

Definition at line 58 of file OscillatorStrength_filter.h.

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

• xtp/src/libxtp/statefilters/OscillatorStrength_filter.h
• xtp/src/libxtp/statefilters/OscillatorStrength_filter.cc