Public Member Functions | Static Public Member Functions | Protected Member Functions | Private Member Functions | Static Private Member Functions | Private Attributes | Friends | List of all members
PLMD::ves::CoeffsVector Class Reference

#include <CoeffsVector.h>

Inheritance diagram for PLMD::ves::CoeffsVector:
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Public Member Functions

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

Static Public Member Functions

static bool sameShape (CoeffsVector &, CoeffsVector &)
 
static void averageVectors (CoeffsVector &, CoeffsVector &)
 
static void averageVectors (const std::vector< 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

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

Private Member Functions

CoeffsVector & operator= (const CoeffsVector &)
 
void writeHeaderToFile (OFile &) const
 
void readHeaderFromFile (IFile &, const bool ignore_coeffs_info=false)
 
size_t readDataFromFile (IFile &, const bool ignore_missing_coeffs=false)
 

Static Private Member Functions

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

Private Attributes

std::vector< double > data
 
unsigned int averaging_counter
 
unsigned int averaging_exp_decay_
 
Communicator & mycomm
 

Friends

CoeffsVector operator* (const double, const CoeffsVector &)
 
CoeffsVector operator* (const CoeffsVector &, const double)
 
CoeffsVector operator+ (const double, const CoeffsVector &)
 
CoeffsVector operator+ (const CoeffsVector &, const double)
 
CoeffsVector operator+ (const std::vector< double > &, const CoeffsVector &)
 
CoeffsVector operator+ (const CoeffsVector &, const std::vector< double > &)
 
CoeffsVector operator- (const double, const CoeffsVector &)
 
CoeffsVector operator- (const CoeffsVector &, const double)
 
CoeffsVector operator- (const std::vector< double > &, const CoeffsVector &)
 
CoeffsVector operator- (const CoeffsVector &, const std::vector< double > &)
 

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,
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 double  value)

◆ addToValues() [2/3]

void PLMD::ves::CoeffsVector::addToValues ( const std::vector< double > &  values)

◆ addToValues() [3/3]

void PLMD::ves::CoeffsVector::addToValues ( const CoeffsVector &  other_coeffsvector)

◆ 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

◆ 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

◆ 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*=() [1/2]

CoeffsVector & PLMD::ves::CoeffsVector::operator*= ( const double  scalef)

◆ operator*=() [2/2]

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

◆ 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 double  value)

◆ operator+=() [2/3]

CoeffsVector & PLMD::ves::CoeffsVector::operator+= ( const std::vector< double > &  values)

◆ operator+=() [3/3]

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

◆ 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 double  value)

◆ operator-=() [2/3]

CoeffsVector & PLMD::ves::CoeffsVector::operator-= ( const std::vector< double > &  values)

◆ operator-=() [3/3]

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

◆ 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 ( IFile &  ifile,
const bool  ignore_missing_coeffs = false,
const bool  ignore_header = false 
)

◆ readFromFile() [2/2]

size_t PLMD::ves::CoeffsVector::readFromFile ( const std::string &  filepath,
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 
)

◆ 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::CoeffsVector::sameShape ( CoeffsVector &  coeffsvector_in) const

◆ sameShape() [2/4]

bool PLMD::ves::CoeffsVector::sameShape ( CoeffsMatrix &  coeffsmat_in) const

◆ sameShape() [3/4]

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

◆ sameShape() [4/4]

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

◆ 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 double  value)

◆ setValues() [2/3]

void PLMD::ves::CoeffsVector::setValues ( const std::vector< double > &  values)

◆ setValues() [3/3]

void PLMD::ves::CoeffsVector::setValues ( const CoeffsVector &  other_coeffsvector)

◆ 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 double  value)

◆ subtractFromValues() [2/3]

void PLMD::ves::CoeffsVector::subtractFromValues ( const std::vector< double > &  values)

◆ subtractFromValues() [3/3]

void PLMD::ves::CoeffsVector::subtractFromValues ( const CoeffsVector &  other_coeffsvector)

◆ 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 ( OFile &  ofile,
const bool  print_description = false 
)

◆ writeToFile() [3/5]

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

◆ writeToFile() [4/5]

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() [5/5]

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

Friends And Related Function Documentation

◆ operator* [1/2]

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

◆ operator* [2/2]

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

◆ operator+ [1/4]

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

◆ operator+ [2/4]

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

◆ operator+ [3/4]

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

◆ operator+ [4/4]

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

◆ operator- [1/4]

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

◆ operator- [2/4]

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

◆ operator- [3/4]

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

◆ operator- [4/4]

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

Member Data Documentation

◆ averaging_counter

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

◆ averaging_exp_decay_

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

◆ data

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

◆ mycomm

Communicator& PLMD::ves::CoeffsVector::mycomm
private
The documentation for this class was generated from the following files:
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