PLMD::ves::CoeffsVector Class Reference

#include <CoeffsVector.h>

Inheritance diagram for PLMD::ves::CoeffsVector:

Public Member Functions
	CoeffsVector (const std::string &, CoeffsMatrix *, Communicator &)
	CoeffsVector (const std::string &, const std::vector< std::string > &, const std::vector< unsigned int > &, Communicator &, const bool use_counter=false)
	CoeffsVector (const std::string &, const std::vector< Value * > &, std::vector< BasisFunctions * > &, Communicator &, const bool use_counter=false)
	CoeffsVector (const std::string &, std::vector< std::vector< Value * > > &, std::vector< std::vector< BasisFunctions * > > &, Communicator &, const bool use_counter=false, const std::string &multicoeffs_label="bias")
	~CoeffsVector ()
void	activate ()
void	addToAverage (const CoeffsVector &)
void	addToValue (const size_t, const double)
void	addToValue (const std::vector< unsigned int > &, const double)
void	addToValues (const CoeffsVector &)
void	addToValues (const double)
void	addToValues (const std::vector< double > &)
void	checkCoeffsInfo (const std::string &, const std::string &, const unsigned int, const size_t, const std::vector< unsigned int > &)
void	clear ()
size_t	countValues (const double) const
void	deactivate ()
std::vector< std::string >	getAllCoeffsDescriptions () const
std::vector< std::string >	getAllDimensionLabels () const
std::string	getCoeffDescription (const size_t index) const
std::string	getCoeffDescription (const std::vector< unsigned int > &) const
void	getCoeffsInfoFromFile (IFile &, const bool ignore_coeffs_info=false)
Communicator &	getCommunicator () const
std::vector< double >	getDataAsVector () const
std::string	getDataLabel () const
std::string	getDimensionLabel (const unsigned int) const
size_t	getIndex (const std::vector< unsigned int > &) const
std::vector< unsigned int >	getIndices (const size_t) const
unsigned int	getIterationCounter () const
double	getL1Norm () const
double	getL2Norm () const
std::string	getLabel () const
double	getLpNorm (const double) const
double	getMaxAbsValue () const
double	getMaxAbsValue (size_t &) const
double	getMaxValue () const
double	getMaxValue (size_t &) const
double	getMinAbsValue () const
double	getMinAbsValue (size_t &) const
double	getMinValue () const
double	getMinValue (size_t &) const
double	getNorm () const
std::string	getOutputFmt () const
Action *	getPntrToAction () const
VesBias *	getPntrToVesBias () const
double	getRMS () const
size_t	getSize () const
double	getTimeValue () const
CoeffsType	getType () const
std::string	getTypeStr () const
double	getValue (const size_t) const
double	getValue (const std::vector< unsigned int > &) const
bool	indicesExist (const std::vector< unsigned int > &) const
bool	isActive () const
bool	isGenericCoeffs () const
bool	isIterationCounterActive () const
bool	isLinearBasisSetCoeffs () const
bool	isMultiLinearBasisSetCoeffs () const
void	linkAction (Action *)
void	linkVesBias (VesBias *)
void	multiplyWithValues (const std::vector< double > &)
void	normalizeCoeffs ()
size_t	numberOfCoeffs () const
unsigned int	numberOfDimensions () const
double &	operator() (const size_t index)
const double &	operator() (const size_t index) const
double &	operator() (const std::vector< unsigned int > &)
const double &	operator() (const std::vector< unsigned int > &) const
CoeffsVector	operator* (const CoeffsVector &) const
CoeffsVector &	operator*= (const CoeffsVector &)
CoeffsVector &	operator*= (const double)
CoeffsVector &	operator*= (const std::vector< double > &)
CoeffsVector	operator+ () const
CoeffsVector	operator+ (const CoeffsVector &) const
CoeffsVector &	operator+= (const CoeffsVector &)
CoeffsVector &	operator+= (const double)
CoeffsVector &	operator+= (const std::vector< double > &)
CoeffsVector	operator- () const
CoeffsVector	operator- (const CoeffsVector &) const
CoeffsVector &	operator-= (const CoeffsVector &)
CoeffsVector &	operator-= (const double)
CoeffsVector &	operator-= (const std::vector< double > &)
CoeffsVector &	operator= (const double)
CoeffsVector &	operator= (const std::vector< double > &)
double &	operator[] (const size_t index)
const double &	operator[] (const size_t index) const
double &	operator[] (const std::vector< unsigned int > &)
const double &	operator[] (const std::vector< unsigned int > &) const
void	randomizeValuesGaussian (int)
size_t	readFromFile (const std::string &, const bool ignore_missing_coeffs=false, const bool ignore_header=false)
size_t	readFromFile (IFile &, const bool ignore_missing_coeffs=false, const bool ignore_header=false)
size_t	readOneSetFromFile (IFile &ifile, const bool ignore_header=false)
void	replaceLabelString (const std::string &, const std::string &)
void	resetAveraging ()
void	resetAveragingCounter ()
void	resetOutputFmt ()
void	resizeCoeffs (const std::vector< unsigned int > &)
void	resizeCoeffs (std::vector< BasisFunctions * > &)
bool	sameShape (CoeffsMatrix &) const
bool	sameShape (CoeffsVector &) const
void	scaleAllValues (const double)
void	setAllCoeffsDescriptions (const std::string &description_prefix="C")
void	setAllCoeffsDescriptions (const std::vector< std::string > &)
void	setAllDimensionLabels (const std::string &)
void	setAllDimensionLabels (const std::vector< std::string > &)
void	setAllValuesToZero ()
void	setCoeffDescription (const size_t, const std::string &)
void	setCoeffDescription (const std::vector< unsigned int > &, const std::string &)
void	setDataLabel (const std::string &)
void	setDimensionLabel (const unsigned int, const std::string &)
void	setIterationCounter (const unsigned int)
void	setIterationCounterAndTime (const unsigned int, const double)
void	setLabel (const std::string &)
void	setLabels (const std::string &)
void	setLabels (const std::string &, const std::string &)
void	setOutputFmt (const std::string &ss)
void	setTime (const double)
void	setType (const CoeffsType coeffs_type)
void	setupExponentiallyDecayingAveraging (const unsigned int averaging_exp_decay_in)
void	setValue (const size_t, const double)
void	setValue (const std::vector< unsigned int > &, const double)
void	setValues (const CoeffsVector &)
void	setValues (const double)
void	setValues (const std::vector< double > &)
void	setValuesFromDifferentShape (const CoeffsVector &)
std::vector< unsigned int >	shapeOfIndices () const
unsigned int	shapeOfIndices (const unsigned int dim_index) const
void	subtractFromValues (const CoeffsVector &)
void	subtractFromValues (const double)
void	subtractFromValues (const std::vector< double > &)
void	sumCommMPI ()
void	sumCommMPI (Communicator &cc)
void	sumMultiSimCommMPI (Communicator &)
void	turnOffExponentiallyDecayingAveraging ()
void	turnOffIterationCounter ()
void	turnOnIterationCounter ()
void	writeCoeffsInfoToFile (OFile &) const
void	writeTimeInfoToFile (OFile &, const double) const
void	writeToFile (const std::string &, const bool print_description=false, const bool append_file=false, Action *action_pntr=NULL)
void	writeToFile (OFile &, const bool print_description=false)
void	writeToFile (OFile &ofile, CoeffsVector *, const bool print_coeffs_descriptions=false)

Static Public Member Functions
static void	averageVectors (CoeffsVector &, CoeffsVector &)
static void	averageVectors (const std::vector< CoeffsVector * > &)
static bool	sameShape (CoeffsVector &, CoeffsVector &)
static void	writeToFile (const std::string &, const std::vector< CoeffsVector * > &, const bool print_description=false, const bool append_file=false, Action *action_pntr=NULL)
static void	writeToFile (OFile &, const std::vector< CoeffsVector * > &, const bool print_description=false)

Protected Member Functions
bool	getIterationCounterAndTimeFromFile (IFile &)
void	resizeIndices (const std::vector< unsigned int > &)
void	resizeIndices (std::vector< BasisFunctions * > &)
bool	sameShape (const CoeffsBase &) const
void	setupBasisFunctionsInfo ()
void	writeIterationCounterAndTimeToFile (OFile &) const

Private Types
enum	CoeffsType { Generic , LinearBasisSet , MultiCoeffs_LinearBasisSet }

Private Member Functions
void	initializeIndices (const std::vector< unsigned int > &, const std::vector< std::string > &)
CoeffsVector &	operator= (const CoeffsVector &)
size_t	readDataFromFile (IFile &, const bool ignore_missing_coeffs=false)
void	readHeaderFromFile (IFile &, const bool ignore_coeffs_info=false)
void	reinitializeIndices (const std::vector< unsigned int > &)
void	writeHeaderToFile (OFile &) const

Static Private Member Functions
static void	writeDataToFile (OFile &, const std::vector< CoeffsVector * > &, const bool print_description=false)

Private Attributes
Action *	action_pntr_
bool	active
std::vector< Value * >	args_
unsigned int	averaging_counter
unsigned int	averaging_exp_decay_
std::vector< BasisFunctions * >	basisf_
std::vector< std::string >	coeffs_descriptions_
enum PLMD::ves::CoeffsBase::CoeffsType	coeffs_type_
std::vector< double >	data
std::string	data_label_
std::vector< std::string >	dimension_labels_
const std::string	field_iteration_
const std::string	field_ncoeffs_total_
const std::string	field_ndimensions_
const std::string	field_shape_prefix_
const std::string	field_time_
const std::string	field_type_
std::vector< unsigned int >	indices_shape_
bool	iteration_and_time_active_
unsigned int	iteration_opt
std::string	label_
bool	multicoeffs_
std::vector< std::vector< Value * > >	multicoeffs_args_
std::vector< std::vector< BasisFunctions * > >	multicoeffs_basisf_
Communicator &	mycomm
size_t	ncoeffs_
unsigned int	ndimensions_
std::string	output_fmt_
double	time_md
VesBias *	vesbias_pntr_

Friends
CoeffsVector	operator* (const CoeffsVector &coeffsvector, const double scalef)
CoeffsVector	operator* (const CoeffsVector &coeffsvector, const std::vector< double > &values)
CoeffsVector	operator* (const double scalef, const CoeffsVector &coeffsvector)
CoeffsVector	operator* (const std::vector< double > &values, const CoeffsVector &coeffsvector)
CoeffsVector	operator+ (const CoeffsVector &coeffsvector, const double value)
CoeffsVector	operator+ (const CoeffsVector &coeffsvector, const std::vector< double > &values)
CoeffsVector	operator+ (const double value, const CoeffsVector &coeffsvector)
CoeffsVector	operator+ (const std::vector< double > &values, const CoeffsVector &coeffsvector)
CoeffsVector	operator- (const CoeffsVector &coeffsvector, const double value)
CoeffsVector	operator- (const CoeffsVector &coeffsvector, const std::vector< double > &values)
CoeffsVector	operator- (const double value, const CoeffsVector &coeffsvector)
CoeffsVector	operator- (const std::vector< double > &values, const CoeffsVector &coeffsvector)

Member Enumeration Documentation

CoeffsType

enum PLMD::ves::CoeffsBase::CoeffsType

privateinherited

Enumerator
Generic
LinearBasisSet
MultiCoeffs_LinearBasisSet

Constructor & Destructor Documentation

CoeffsVector() [1/4]

PLMD::ves::CoeffsVector::CoeffsVector ( const std::string & label, const std::vector< std::string > & dimension_labels, const std::vector< unsigned int > & indices_shape, Communicator & cc, const bool use_counter = false )

explicit

CoeffsVector() [2/4]

PLMD::ves::CoeffsVector::CoeffsVector ( const std::string & label, const std::vector< Value * > & args, std::vector< BasisFunctions * > & basisf, Communicator & cc, const bool use_counter = false )

explicit

CoeffsVector() [3/4]

PLMD::ves::CoeffsVector::CoeffsVector ( const std::string & label, std::vector< std::vector< Value * > > & argsv, std::vector< std::vector< BasisFunctions * > > & basisfv, Communicator & cc, const bool use_counter = false, const std::string & multicoeffs_label = "bias" )

explicit

CoeffsVector() [4/4]

PLMD::ves::CoeffsVector::CoeffsVector ( const std::string & label, CoeffsMatrix * coeffsMat, Communicator & cc )

explicit

~CoeffsVector()

PLMD::ves::CoeffsVector::~CoeffsVector

(

)

Member Function Documentation

activate()

void PLMD::ves::CoeffsBase::activate ( )

inlineinherited

addToAverage()

void PLMD::ves::CoeffsVector::addToAverage

(

const CoeffsVector &

coeffsvec

)

addToValue() [1/2]

void PLMD::ves::CoeffsVector::addToValue	(	const size_t	index,
		const double	value )

addToValue() [2/2]

void PLMD::ves::CoeffsVector::addToValue	(	const std::vector< unsigned int > &	indices,
		const double	value )

addToValues() [1/3]

void PLMD::ves::CoeffsVector::addToValues

(

const CoeffsVector &

other_coeffsvector

)

addToValues() [2/3]

void PLMD::ves::CoeffsVector::addToValues

(

const double

value

)

addToValues() [3/3]

void PLMD::ves::CoeffsVector::addToValues

(

const std::vector< double > &

values

)

averageVectors() [1/2]

void PLMD::ves::CoeffsVector::averageVectors ( CoeffsVector & coeffsvec0, CoeffsVector & coeffsvec1 )

static

averageVectors() [2/2]

void PLMD::ves::CoeffsVector::averageVectors ( const std::vector< CoeffsVector * > & coeffsvecSet )

static

checkCoeffsInfo()

void PLMD::ves::CoeffsBase::checkCoeffsInfo ( const std::string & msg_header, const std::string & coeffs_type_f, const unsigned int ndimensions_f, const size_t ncoeffs_total_f, const std::vector< unsigned int > & indices_shape_f )

inherited

clear()

void PLMD::ves::CoeffsVector::clear

(

)

countValues()

size_t PLMD::ves::CoeffsVector::countValues

(

const double

value

)

const

deactivate()

void PLMD::ves::CoeffsBase::deactivate ( )

inlineinherited

getAllCoeffsDescriptions()

std::vector< std::string > PLMD::ves::CoeffsBase::getAllCoeffsDescriptions ( ) const

inlineinherited

getAllDimensionLabels()

std::vector< std::string > PLMD::ves::CoeffsBase::getAllDimensionLabels ( ) const

inlineinherited

getCoeffDescription() [1/2]

std::string PLMD::ves::CoeffsBase::getCoeffDescription ( const size_t index ) const

inlineinherited

getCoeffDescription() [2/2]

std::string PLMD::ves::CoeffsBase::getCoeffDescription ( const std::vector< unsigned int > & indices ) const

inlineinherited

getCoeffsInfoFromFile()

void PLMD::ves::CoeffsBase::getCoeffsInfoFromFile ( IFile & ifile, const bool ignore_coeffs_info = false )

inherited

getCommunicator()

Communicator & PLMD::ves::CoeffsVector::getCommunicator ( ) const

inline

getDataAsVector()

std::vector< double > PLMD::ves::CoeffsVector::getDataAsVector ( ) const

inline

getDataLabel()

std::string PLMD::ves::CoeffsBase::getDataLabel ( ) const

inlineinherited

getDimensionLabel()

std::string PLMD::ves::CoeffsBase::getDimensionLabel ( const unsigned int dim_index ) const

inlineinherited

getIndex()

size_t PLMD::ves::CoeffsBase::getIndex ( const std::vector< unsigned int > & indices ) const

inlineinherited

getIndices()

std::vector< unsigned int > PLMD::ves::CoeffsBase::getIndices ( const size_t index ) const

inlineinherited

getIterationCounter()

unsigned int PLMD::ves::CoeffsBase::getIterationCounter ( ) const

inlineinherited

getIterationCounterAndTimeFromFile()

bool PLMD::ves::CoeffsBase::getIterationCounterAndTimeFromFile ( IFile & ifile )

protectedinherited

getL1Norm()

double PLMD::ves::CoeffsVector::getL1Norm

(

)

const

getL2Norm()

double PLMD::ves::CoeffsVector::getL2Norm

(

)

const

getLabel()

std::string PLMD::ves::CoeffsBase::getLabel ( ) const

inlineinherited

getLpNorm()

double PLMD::ves::CoeffsVector::getLpNorm

(

const double

p

)

const

getMaxAbsValue() [1/2]

double PLMD::ves::CoeffsVector::getMaxAbsValue

(

)

const

getMaxAbsValue() [2/2]

double PLMD::ves::CoeffsVector::getMaxAbsValue

(

size_t &

max_index

)

const

getMaxValue() [1/2]

double PLMD::ves::CoeffsVector::getMaxValue

(

)

const

getMaxValue() [2/2]

double PLMD::ves::CoeffsVector::getMaxValue

(

size_t &

max_index

)

const

getMinAbsValue() [1/2]

double PLMD::ves::CoeffsVector::getMinAbsValue

(

)

const

getMinAbsValue() [2/2]

double PLMD::ves::CoeffsVector::getMinAbsValue

(

size_t &

min_index

)

const

getMinValue() [1/2]

double PLMD::ves::CoeffsVector::getMinValue

(

)

const

getMinValue() [2/2]

double PLMD::ves::CoeffsVector::getMinValue

(

size_t &

min_index

)

const

getNorm()

double PLMD::ves::CoeffsVector::getNorm

(

)

const

getOutputFmt()

std::string PLMD::ves::CoeffsBase::getOutputFmt ( ) const

inlineinherited

getPntrToAction()

Action * PLMD::ves::CoeffsBase::getPntrToAction ( ) const

inlineinherited

getPntrToVesBias()

VesBias * PLMD::ves::CoeffsBase::getPntrToVesBias ( ) const

inlineinherited

getRMS()

double PLMD::ves::CoeffsVector::getRMS

(

)

const

getSize()

size_t PLMD::ves::CoeffsVector::getSize ( ) const

inline

getTimeValue()

double PLMD::ves::CoeffsBase::getTimeValue ( ) const

inlineinherited

getType()

CoeffsType PLMD::ves::CoeffsBase::getType ( ) const

inlineinherited

getTypeStr()

std::string PLMD::ves::CoeffsBase::getTypeStr ( ) const

inherited

getValue() [1/2]

double PLMD::ves::CoeffsVector::getValue ( const size_t index ) const

inline

getValue() [2/2]

double PLMD::ves::CoeffsVector::getValue ( const std::vector< unsigned int > & indices ) const

inline

indicesExist()

bool PLMD::ves::CoeffsBase::indicesExist ( const std::vector< unsigned int > & indices ) const

inherited

initializeIndices()

void PLMD::ves::CoeffsBase::initializeIndices ( const std::vector< unsigned int > & indices_shape, const std::vector< std::string > & dimension_labels )

privateinherited

isActive()

bool PLMD::ves::CoeffsBase::isActive ( ) const

inlineinherited

isGenericCoeffs()

bool PLMD::ves::CoeffsBase::isGenericCoeffs ( ) const

inlineinherited

isIterationCounterActive()

bool PLMD::ves::CoeffsBase::isIterationCounterActive ( ) const

inlineinherited

isLinearBasisSetCoeffs()

bool PLMD::ves::CoeffsBase::isLinearBasisSetCoeffs ( ) const

inlineinherited

isMultiLinearBasisSetCoeffs()

bool PLMD::ves::CoeffsBase::isMultiLinearBasisSetCoeffs ( ) const

inlineinherited

linkAction()

void PLMD::ves::CoeffsBase::linkAction ( Action * action_pntr_in )

inherited

linkVesBias()

void PLMD::ves::CoeffsBase::linkVesBias ( VesBias * vesbias_pntr_in )

inherited

multiplyWithValues()

void PLMD::ves::CoeffsVector::multiplyWithValues

(

const std::vector< double > &

values

)

normalizeCoeffs()

void PLMD::ves::CoeffsVector::normalizeCoeffs

(

)

numberOfCoeffs()

size_t PLMD::ves::CoeffsBase::numberOfCoeffs ( ) const

inlineinherited

numberOfDimensions()

unsigned int PLMD::ves::CoeffsBase::numberOfDimensions ( ) const

inlineinherited

operator()() [1/4]

double & PLMD::ves::CoeffsVector::operator()

(

const size_t

index

)

operator()() [2/4]

const double & PLMD::ves::CoeffsVector::operator()

(

const size_t

index

)

const

operator()() [3/4]

double & PLMD::ves::CoeffsVector::operator()

(

const std::vector< unsigned int > &

indices

)

operator()() [4/4]

const double & PLMD::ves::CoeffsVector::operator()

(

const std::vector< unsigned int > &

indices

)

const

operator*()

CoeffsVector PLMD::ves::CoeffsVector::operator*

(

const CoeffsVector &

other_coeffsvector

)

const

operator*=() [1/3]

CoeffsVector & PLMD::ves::CoeffsVector::operator*=

(

const CoeffsVector &

other_coeffsvector

)

operator*=() [2/3]

CoeffsVector & PLMD::ves::CoeffsVector::operator*=

(

const double

scalef

)

operator*=() [3/3]

CoeffsVector & PLMD::ves::CoeffsVector::operator*=

(

const std::vector< double > &

values

)

operator+() [1/2]

CoeffsVector PLMD::ves::CoeffsVector::operator+

(

)

const

operator+() [2/2]

CoeffsVector PLMD::ves::CoeffsVector::operator+

(

const CoeffsVector &

other_coeffsvector

)

const

operator+=() [1/3]

CoeffsVector & PLMD::ves::CoeffsVector::operator+=

(

const CoeffsVector &

other_coeffsvector

)

operator+=() [2/3]

CoeffsVector & PLMD::ves::CoeffsVector::operator+=

(

const double

value

)

operator+=() [3/3]

CoeffsVector & PLMD::ves::CoeffsVector::operator+=

(

const std::vector< double > &

values

)

operator-() [1/2]

CoeffsVector PLMD::ves::CoeffsVector::operator-

(

)

const

operator-() [2/2]

CoeffsVector PLMD::ves::CoeffsVector::operator-

(

const CoeffsVector &

other_coeffsvector

)

const

operator-=() [1/3]

CoeffsVector & PLMD::ves::CoeffsVector::operator-=

(

const CoeffsVector &

other_coeffsvector

)

operator-=() [2/3]

CoeffsVector & PLMD::ves::CoeffsVector::operator-=

(

const double

value

)

operator-=() [3/3]

CoeffsVector & PLMD::ves::CoeffsVector::operator-=

(

const std::vector< double > &

values

)

operator=() [1/3]

CoeffsVector & PLMD::ves::CoeffsVector::operator= ( const CoeffsVector & )

private

operator=() [2/3]

CoeffsVector & PLMD::ves::CoeffsVector::operator=

(

const double

value

)

operator=() [3/3]

CoeffsVector & PLMD::ves::CoeffsVector::operator=

(

const std::vector< double > &

values

)

operator[]() [1/4]

double & PLMD::ves::CoeffsVector::operator[]

(

const size_t

index

)

operator[]() [2/4]

const double & PLMD::ves::CoeffsVector::operator[]

(

const size_t

index

)

const

operator[]() [3/4]

double & PLMD::ves::CoeffsVector::operator[]

(

const std::vector< unsigned int > &

indices

)

operator[]() [4/4]

const double & PLMD::ves::CoeffsVector::operator[]

(

const std::vector< unsigned int > &

indices

)

const

randomizeValuesGaussian()

void PLMD::ves::CoeffsVector::randomizeValuesGaussian

(

int

randomSeed

)

readDataFromFile()

size_t PLMD::ves::CoeffsVector::readDataFromFile ( IFile & ifile, const bool ignore_missing_coeffs = false )

private

readFromFile() [1/2]

size_t PLMD::ves::CoeffsVector::readFromFile	(	const std::string &	filepath,
		const bool	ignore_missing_coeffs = false,
		const bool	ignore_header = false )

readFromFile() [2/2]

size_t PLMD::ves::CoeffsVector::readFromFile	(	IFile &	ifile,
		const bool	ignore_missing_coeffs = false,
		const bool	ignore_header = false )

readHeaderFromFile()

void PLMD::ves::CoeffsVector::readHeaderFromFile ( IFile & ifile, const bool ignore_coeffs_info = false )

private

readOneSetFromFile()

size_t PLMD::ves::CoeffsVector::readOneSetFromFile	(	IFile &	ifile,
		const bool	ignore_header = false )

reinitializeIndices()

void PLMD::ves::CoeffsBase::reinitializeIndices ( const std::vector< unsigned int > & indices_shape_new )

privateinherited

replaceLabelString()

void PLMD::ves::CoeffsBase::replaceLabelString ( const std::string & oldstring, const std::string & newstring )

inherited

resetAveraging()

void PLMD::ves::CoeffsVector::resetAveraging

(

)

resetAveragingCounter()

void PLMD::ves::CoeffsVector::resetAveragingCounter ( )

inline

resetOutputFmt()

void PLMD::ves::CoeffsBase::resetOutputFmt ( )

inlineinherited

resizeCoeffs() [1/2]

void PLMD::ves::CoeffsVector::resizeCoeffs

(

const std::vector< unsigned int > &

indices_shape_new

)

resizeCoeffs() [2/2]

void PLMD::ves::CoeffsVector::resizeCoeffs

(

std::vector< BasisFunctions * > &

basisf_new

)

resizeIndices() [1/2]

void PLMD::ves::CoeffsBase::resizeIndices ( const std::vector< unsigned int > & indices_shape_new )

protectedinherited

resizeIndices() [2/2]

void PLMD::ves::CoeffsBase::resizeIndices ( std::vector< BasisFunctions * > & basisf_new )

protectedinherited

sameShape() [1/4]

bool PLMD::ves::CoeffsBase::sameShape ( const CoeffsBase & coeffsbase_in ) const

protectedinherited

sameShape() [2/4]

bool PLMD::ves::CoeffsVector::sameShape

(

CoeffsMatrix &

coeffsmat_in

)

const

sameShape() [3/4]

bool PLMD::ves::CoeffsVector::sameShape

(

CoeffsVector &

coeffsvector_in

)

const

sameShape() [4/4]

bool PLMD::ves::CoeffsVector::sameShape ( CoeffsVector & coeffsvec0, CoeffsVector & coeffsvec1 )

static

scaleAllValues()

void PLMD::ves::CoeffsVector::scaleAllValues

(

const double

scalef

)

setAllCoeffsDescriptions() [1/2]

void PLMD::ves::CoeffsBase::setAllCoeffsDescriptions ( const std::string & description_prefix = "C" )

inherited

setAllCoeffsDescriptions() [2/2]

void PLMD::ves::CoeffsBase::setAllCoeffsDescriptions ( const std::vector< std::string > & coeffs_descriptions )

inherited

setAllDimensionLabels() [1/2]

void PLMD::ves::CoeffsBase::setAllDimensionLabels ( const std::string & label_prefix )

inherited

setAllDimensionLabels() [2/2]

void PLMD::ves::CoeffsBase::setAllDimensionLabels ( const std::vector< std::string > & labels )

inherited

setAllValuesToZero()

void PLMD::ves::CoeffsVector::setAllValuesToZero

(

)

setCoeffDescription() [1/2]

void PLMD::ves::CoeffsBase::setCoeffDescription ( const size_t index, const std::string & description )

inherited

setCoeffDescription() [2/2]

void PLMD::ves::CoeffsBase::setCoeffDescription ( const std::vector< unsigned int > & indices, const std::string & description )

inherited

setDataLabel()

void PLMD::ves::CoeffsBase::setDataLabel ( const std::string & data_label )

inherited

setDimensionLabel()

void PLMD::ves::CoeffsBase::setDimensionLabel ( const unsigned int dim_index, const std::string & label )

inherited

setIterationCounter()

void PLMD::ves::CoeffsBase::setIterationCounter ( const unsigned int iteration_opt_in )

inlineinherited

setIterationCounterAndTime()

void PLMD::ves::CoeffsBase::setIterationCounterAndTime ( const unsigned int iteration_opt_in, const double time_md_in )

inlineinherited

setLabel()

void PLMD::ves::CoeffsBase::setLabel ( const std::string & label )

inherited

setLabels() [1/2]

void PLMD::ves::CoeffsBase::setLabels ( const std::string & label )

inherited

setLabels() [2/2]

void PLMD::ves::CoeffsBase::setLabels ( const std::string & label, const std::string & data_label )

inherited

setOutputFmt()

void PLMD::ves::CoeffsBase::setOutputFmt ( const std::string & ss )

inlineinherited

setTime()

void PLMD::ves::CoeffsBase::setTime ( const double time_md_in )

inlineinherited

setType()

void PLMD::ves::CoeffsBase::setType ( const CoeffsType coeffs_type )

inherited

setupBasisFunctionsInfo()

void PLMD::ves::CoeffsBase::setupBasisFunctionsInfo ( )

protectedinherited

setupExponentiallyDecayingAveraging()

void PLMD::ves::CoeffsVector::setupExponentiallyDecayingAveraging ( const unsigned int averaging_exp_decay_in )

inline

setValue() [1/2]

void PLMD::ves::CoeffsVector::setValue	(	const size_t	index,
		const double	value )

setValue() [2/2]

void PLMD::ves::CoeffsVector::setValue	(	const std::vector< unsigned int > &	indices,
		const double	value )

setValues() [1/3]

void PLMD::ves::CoeffsVector::setValues

(

const CoeffsVector &

other_coeffsvector

)

setValues() [2/3]

void PLMD::ves::CoeffsVector::setValues

(

const double

value

)

setValues() [3/3]

void PLMD::ves::CoeffsVector::setValues

(

const std::vector< double > &

values

)

setValuesFromDifferentShape()

void PLMD::ves::CoeffsVector::setValuesFromDifferentShape

(

const CoeffsVector &

other_coeffsvector

)

shapeOfIndices() [1/2]

std::vector< unsigned int > PLMD::ves::CoeffsBase::shapeOfIndices ( ) const

inlineinherited

shapeOfIndices() [2/2]

unsigned int PLMD::ves::CoeffsBase::shapeOfIndices ( const unsigned int dim_index ) const

inlineinherited

subtractFromValues() [1/3]

void PLMD::ves::CoeffsVector::subtractFromValues

(

const CoeffsVector &

other_coeffsvector

)

subtractFromValues() [2/3]

void PLMD::ves::CoeffsVector::subtractFromValues

(

const double

value

)

subtractFromValues() [3/3]

void PLMD::ves::CoeffsVector::subtractFromValues

(

const std::vector< double > &

values

)

sumCommMPI() [1/2]

void PLMD::ves::CoeffsVector::sumCommMPI

(

)

sumCommMPI() [2/2]

void PLMD::ves::CoeffsVector::sumCommMPI

(

Communicator &

cc

)

sumMultiSimCommMPI()

void PLMD::ves::CoeffsVector::sumMultiSimCommMPI

(

Communicator &

multi_sim_cc

)

turnOffExponentiallyDecayingAveraging()

void PLMD::ves::CoeffsVector::turnOffExponentiallyDecayingAveraging ( )

inline

turnOffIterationCounter()

void PLMD::ves::CoeffsBase::turnOffIterationCounter ( )

inlineinherited

turnOnIterationCounter()

void PLMD::ves::CoeffsBase::turnOnIterationCounter ( )

inlineinherited

writeCoeffsInfoToFile()

void PLMD::ves::CoeffsBase::writeCoeffsInfoToFile ( OFile & ofile ) const

inherited

writeDataToFile()

void PLMD::ves::CoeffsVector::writeDataToFile ( OFile & ofile, const std::vector< CoeffsVector * > & coeffsvecSet, const bool print_description = false )

staticprivate

writeHeaderToFile()

void PLMD::ves::CoeffsVector::writeHeaderToFile ( OFile & ofile ) const

private

writeIterationCounterAndTimeToFile()

void PLMD::ves::CoeffsBase::writeIterationCounterAndTimeToFile ( OFile & ofile ) const

protectedinherited

writeTimeInfoToFile()

void PLMD::ves::CoeffsBase::writeTimeInfoToFile ( OFile & , const double  ) const

inherited

writeToFile() [1/5]

void PLMD::ves::CoeffsVector::writeToFile	(	const std::string &	filepath,
		const bool	print_description = false,
		const bool	append_file = false,
		Action *	action_pntr = NULL )

writeToFile() [2/5]

void PLMD::ves::CoeffsVector::writeToFile ( const std::string & filepath, const std::vector< CoeffsVector * > & coeffsvecSet, const bool print_description = false, const bool append_file = false, Action * action_pntr = NULL )

static

writeToFile() [3/5]

void PLMD::ves::CoeffsVector::writeToFile	(	OFile &	ofile,
		const bool	print_description = false )

writeToFile() [4/5]

void PLMD::ves::CoeffsVector::writeToFile ( OFile & ofile, const std::vector< CoeffsVector * > & coeffsvecSet, const bool print_description = false )

static

writeToFile() [5/5]

void PLMD::ves::CoeffsVector::writeToFile	(	OFile &	ofile,
		CoeffsVector *	aux_coeffsvector,
		const bool	print_coeffs_descriptions = false )

Friends And Related Symbol Documentation

operator* [1/4]

CoeffsVector operator* ( const CoeffsVector & coeffsvector, const double scalef )

friend

operator* [2/4]

CoeffsVector operator* ( const CoeffsVector & coeffsvector, const std::vector< double > & values )

friend

operator* [3/4]

CoeffsVector operator* ( const double scalef, const CoeffsVector & coeffsvector )

friend

operator* [4/4]

CoeffsVector operator* ( const std::vector< double > & values, const CoeffsVector & coeffsvector )

friend

operator+ [1/4]

CoeffsVector operator+ ( const CoeffsVector & coeffsvector, const double value )

friend

operator+ [2/4]

CoeffsVector operator+ ( const CoeffsVector & coeffsvector, const std::vector< double > & values )

friend

operator+ [3/4]

CoeffsVector operator+ ( const double value, const CoeffsVector & coeffsvector )

friend

operator+ [4/4]

CoeffsVector operator+ ( const std::vector< double > & values, const CoeffsVector & coeffsvector )

friend

operator- [1/4]

CoeffsVector operator- ( const CoeffsVector & coeffsvector, const double value )

friend

operator- [2/4]

CoeffsVector operator- ( const CoeffsVector & coeffsvector, const std::vector< double > & values )

friend

operator- [3/4]

CoeffsVector operator- ( const double value, const CoeffsVector & coeffsvector )

friend

operator- [4/4]

CoeffsVector operator- ( const std::vector< double > & values, const CoeffsVector & coeffsvector )

friend

Member Data Documentation

action_pntr_

Action* PLMD::ves::CoeffsBase::action_pntr_

privateinherited

active

bool PLMD::ves::CoeffsBase::active

privateinherited

args_

std::vector<Value*> PLMD::ves::CoeffsBase::args_

privateinherited

averaging_counter

unsigned int PLMD::ves::CoeffsVector::averaging_counter

private

averaging_exp_decay_

unsigned int PLMD::ves::CoeffsVector::averaging_exp_decay_

private

basisf_

std::vector<BasisFunctions*> PLMD::ves::CoeffsBase::basisf_

privateinherited

coeffs_descriptions_

std::vector<std::string> PLMD::ves::CoeffsBase::coeffs_descriptions_

privateinherited

coeffs_type_

enum PLMD::ves::CoeffsBase::CoeffsType PLMD::ves::CoeffsBase::coeffs_type_

privateinherited

data

std::vector<double> PLMD::ves::CoeffsVector::data

private

data_label_

std::string PLMD::ves::CoeffsBase::data_label_

privateinherited

dimension_labels_

std::vector<std::string> PLMD::ves::CoeffsBase::dimension_labels_

privateinherited

field_iteration_

const std::string PLMD::ves::CoeffsBase::field_iteration_

privateinherited

field_ncoeffs_total_

const std::string PLMD::ves::CoeffsBase::field_ncoeffs_total_

privateinherited

field_ndimensions_

const std::string PLMD::ves::CoeffsBase::field_ndimensions_

privateinherited

field_shape_prefix_

const std::string PLMD::ves::CoeffsBase::field_shape_prefix_

privateinherited

field_time_

const std::string PLMD::ves::CoeffsBase::field_time_

privateinherited

field_type_

const std::string PLMD::ves::CoeffsBase::field_type_

privateinherited

indices_shape_

std::vector<unsigned int> PLMD::ves::CoeffsBase::indices_shape_

privateinherited

iteration_and_time_active_

bool PLMD::ves::CoeffsBase::iteration_and_time_active_

privateinherited

iteration_opt

unsigned int PLMD::ves::CoeffsBase::iteration_opt

privateinherited

label_

std::string PLMD::ves::CoeffsBase::label_

privateinherited

multicoeffs_

bool PLMD::ves::CoeffsBase::multicoeffs_

privateinherited

multicoeffs_args_

std::vector<std::vector<Value*> > PLMD::ves::CoeffsBase::multicoeffs_args_

privateinherited

multicoeffs_basisf_

std::vector<std::vector<BasisFunctions*> > PLMD::ves::CoeffsBase::multicoeffs_basisf_

privateinherited

mycomm

Communicator& PLMD::ves::CoeffsVector::mycomm

private

ncoeffs_

size_t PLMD::ves::CoeffsBase::ncoeffs_

privateinherited

ndimensions_

unsigned int PLMD::ves::CoeffsBase::ndimensions_

privateinherited

output_fmt_

std::string PLMD::ves::CoeffsBase::output_fmt_

privateinherited

time_md

double PLMD::ves::CoeffsBase::time_md

privateinherited

vesbias_pntr_

VesBias* PLMD::ves::CoeffsBase::vesbias_pntr_

privateinherited

---

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

• ves/CoeffsVector.h
• ves/CoeffsVector.cpp