votca::xtp::StateTracker Class Reference

Tracks from a spectrum of states the state, which fullfills certain criteria. More...

#include <statetracker.h>

Collaboration diagram for votca::xtp::StateTracker:

Public Member Functions
void	Initialize (const tools::Property &options)
void	setLogger (Logger *log)
void	setInitialState (const QMState &state)
void	PrintInfo () const
QMState	InitialState () const
QMState	CalcStateAndUpdate (const Orbitals &orbitals)
QMState	CalcState (const Orbitals &orbitals) const
void	WriteToCpt (CheckpointWriter &w) const
void	ReadFromCpt (CheckpointReader &r)

Private Member Functions
void	UpdateLastCoeff (const Orbitals &orbitals)
std::vector< Index >	CollapseResults (std::vector< std::vector< Index > > &results) const
std::vector< Index >	ComparePairofVectors (std::vector< Index > &vec1, std::vector< Index > &vec2) const

Private Attributes
Logger *	log_
std::vector< QMState >	statehist_
std::vector< std::unique_ptr< StateFilter_base > >	filters_

Detailed Description

Tracks from a spectrum of states the state, which fullfills certain criteria.

Definition at line 42 of file statetracker.h.

Member Function Documentation

CalcState()

QMState votca::xtp::StateTracker::CalcState

(

const Orbitals &

orbitals

)

const

Definition at line 82 of file statetracker.cc.

CalcStateAndUpdate()

QMState votca::xtp::StateTracker::CalcStateAndUpdate

(

const Orbitals &

orbitals

)

Definition at line 115 of file statetracker.cc.

CollapseResults()

std::vector< Index > votca::xtp::StateTracker::CollapseResults ( std::vector< std::vector< Index > > & results ) const

private

Definition at line 69 of file statetracker.cc.

ComparePairofVectors()

std::vector< Index > votca::xtp::StateTracker::ComparePairofVectors ( std::vector< Index > & vec1, std::vector< Index > & vec2 ) const

private

Definition at line 58 of file statetracker.cc.

Initialize()

void votca::xtp::StateTracker::Initialize

(

const tools::Property &

options

)

Definition at line 28 of file statetracker.cc.

InitialState()

QMState votca::xtp::StateTracker::InitialState ( ) const

inline

Definition at line 49 of file statetracker.h.

PrintInfo()

void votca::xtp::StateTracker::PrintInfo

(

)

const

Definition at line 41 of file statetracker.cc.

ReadFromCpt()

void votca::xtp::StateTracker::ReadFromCpt

(

CheckpointReader &

r

)

Definition at line 138 of file statetracker.cc.

setInitialState()

void votca::xtp::StateTracker::setInitialState ( const QMState & state )

inline

Definition at line 47 of file statetracker.h.

setLogger()

void votca::xtp::StateTracker::setLogger ( Logger * log )

inline

Definition at line 46 of file statetracker.h.

UpdateLastCoeff()

void votca::xtp::StateTracker::UpdateLastCoeff ( const Orbitals & orbitals )

private

WriteToCpt()

void votca::xtp::StateTracker::WriteToCpt

(

CheckpointWriter &

w

)

const

Definition at line 124 of file statetracker.cc.

Member Data Documentation

filters_

std::vector<std::unique_ptr<StateFilter_base> > votca::xtp::StateTracker::filters_

private

Definition at line 67 of file statetracker.h.

log_

Logger* votca::xtp::StateTracker::log_

private

Definition at line 64 of file statetracker.h.

statehist_

std::vector<QMState> votca::xtp::StateTracker::statehist_

private

Definition at line 66 of file statetracker.h.

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

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