votca::xtp::StateFilter_base Class Reference

Base Class for statefilter. More...

#include <statefilter_base.h>

Inheritance diagram for votca::xtp::StateFilter_base:

Public Member Functions
	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

Protected Member Functions
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

Private Member Functions
template<bool larger>
std::vector< Index >	ReduceAndSortIndeces (const Eigen::VectorXd &overlap, Index offset, double threshold) const

Detailed Description

Base Class for statefilter.

Definition at line 44 of file statefilter_base.h.

Constructor & Destructor Documentation

StateFilter_base()

votca::xtp::StateFilter_base::StateFilter_base ( )

default

~StateFilter_base()

virtual votca::xtp::StateFilter_base::~StateFilter_base ( )

virtualdefault

Member Function Documentation

CalcIndeces()

virtual std::vector< Index > votca::xtp::StateFilter_base::CalcIndeces ( const Orbitals & , QMStateType  ) const

pure virtual

Implemented in votca::xtp::DeltaQ_filter, votca::xtp::Density_filter, votca::xtp::Localisation_filter, votca::xtp::OscillatorStrength_filter, and votca::xtp::Overlap_filter.

Identify()

virtual std::string votca::xtp::StateFilter_base::Identify ( ) const

pure virtual

Implemented in votca::xtp::DeltaQ_filter, votca::xtp::Density_filter, votca::xtp::Localisation_filter, votca::xtp::OscillatorStrength_filter, and votca::xtp::Overlap_filter.

Info()

virtual void votca::xtp::StateFilter_base::Info ( Logger & ) const

pure virtual

Implemented in votca::xtp::DeltaQ_filter, votca::xtp::Density_filter, votca::xtp::Localisation_filter, votca::xtp::OscillatorStrength_filter, and votca::xtp::Overlap_filter.

Initialize()

virtual void votca::xtp::StateFilter_base::Initialize ( const tools::Property & )

pure virtual

Implemented in votca::xtp::DeltaQ_filter, votca::xtp::Density_filter, votca::xtp::Localisation_filter, votca::xtp::OscillatorStrength_filter, and votca::xtp::Overlap_filter.

NeedsInitialState()

virtual bool votca::xtp::StateFilter_base::NeedsInitialState ( ) const

pure virtual

Implemented in votca::xtp::DeltaQ_filter, votca::xtp::Density_filter, votca::xtp::Localisation_filter, votca::xtp::OscillatorStrength_filter, and votca::xtp::Overlap_filter.

ReadFromCpt()

virtual void votca::xtp::StateFilter_base::ReadFromCpt ( CheckpointReader & )

pure virtual

Implemented in votca::xtp::DeltaQ_filter, votca::xtp::Density_filter, votca::xtp::Localisation_filter, votca::xtp::OscillatorStrength_filter, and votca::xtp::Overlap_filter.

ReduceAndSortIndeces()

template<bool larger>

std::vector< Index > votca::xtp::StateFilter_base::ReduceAndSortIndeces ( const Eigen::VectorXd & overlap, Index offset, double threshold ) const

private

Definition at line 27 of file statefilter_base.cc.

ReduceAndSortIndecesDown()

std::vector< Index > votca::xtp::StateFilter_base::ReduceAndSortIndecesDown ( const Eigen::VectorXd & overlap, Index offset, double threshold ) const

protected

Definition at line 54 of file statefilter_base.cc.

ReduceAndSortIndecesUp()

std::vector< Index > votca::xtp::StateFilter_base::ReduceAndSortIndecesUp ( const Eigen::VectorXd & overlap, Index offset, double threshold ) const

protected

Definition at line 50 of file statefilter_base.cc.

UpdateHist()

virtual void votca::xtp::StateFilter_base::UpdateHist ( const Orbitals & , QMState  )

pure virtual

Implemented in votca::xtp::DeltaQ_filter, votca::xtp::Density_filter, votca::xtp::Localisation_filter, votca::xtp::OscillatorStrength_filter, and votca::xtp::Overlap_filter.

WriteToCpt()

virtual void votca::xtp::StateFilter_base::WriteToCpt ( CheckpointWriter & )

pure virtual

Implemented in votca::xtp::DeltaQ_filter, votca::xtp::Density_filter, votca::xtp::Localisation_filter, votca::xtp::OscillatorStrength_filter, and votca::xtp::Overlap_filter.

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

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