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PLMD::ves::CoeffsMatrix Class Reference

#include <CoeffsMatrix.h>

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

 CoeffsMatrix (const std::string &, const std::vector< std::string > &, const std::vector< unsigned int > &, Communicator &cc, const bool diagonal=true, const bool use_iteration_counter=false)
 
 CoeffsMatrix (const std::string &, std::vector< Value *> &, std::vector< BasisFunctions *> &, Communicator &cc, const bool diagonal=true, const bool use_iteration_counter=false)
 
 CoeffsMatrix (const std::string &, std::vector< std::vector< Value *> > &argsv, std::vector< std::vector< BasisFunctions *> > &basisfv, Communicator &cc, const bool diagonal=true, const bool use_iteration_counter=false, const std::string &multicoeffs_label="bias")
 
 CoeffsMatrix (const std::string &, CoeffsVector *, Communicator &cc, const bool diagonal=true)
 
 ~CoeffsMatrix ()
 
size_t getSize () const
 
bool isSymmetric () const
 
bool isDiagonal () const
 
bool sameShape (CoeffsVector &) const
 
bool sameShape (CoeffsMatrix &) const
 
void sumCommMPI ()
 
void sumCommMPI (Communicator &)
 
void sumMultiSimCommMPI (Communicator &)
 
size_t getMatrixIndex (const size_t, const size_t) const
 
void clear ()
 
void setAllValuesToZero ()
 
std::vector< double > getDataAsVector () const
 
double getValue (const size_t, const size_t) const
 
double getValue (const std::vector< unsigned int > &, const std::vector< unsigned int > &) const
 
void setValue (const size_t, const size_t, const double)
 
void setValue (const std::vector< unsigned int > &, const std::vector< unsigned int > &, const double)
 
double & operator() (const size_t, const size_t)
 
const double & operator() (const size_t, const size_t) const
 
double & operator() (const std::vector< unsigned int > &, const std::vector< unsigned int > &)
 
const double & operator() (const std::vector< unsigned int > &, const std::vector< unsigned int > &) const
 
void addToValue (const size_t, const size_t, const double)
 
void addToValue (const std::vector< unsigned int > &, const std::vector< unsigned int > &, const double)
 
void scaleAllValues (const double)
 
CoeffsMatrix & operator*= (const double)
 
CoeffsMatrix & operator*= (const CoeffsMatrix &)
 
CoeffsMatrix operator* (const CoeffsMatrix &) const
 
void setValues (const double)
 
void setValues (const std::vector< double > &)
 
void setValues (const CoeffsMatrix &)
 
CoeffsMatrix & operator= (const double)
 
CoeffsMatrix & operator= (const std::vector< double > &)
 
CoeffsMatrix operator+ () const
 
CoeffsMatrix operator- () const
 
void addToValues (const double)
 
void addToValues (const std::vector< double > &)
 
void addToValues (const CoeffsMatrix &)
 
void subtractFromValues (const double)
 
void subtractFromValues (const std::vector< double > &)
 
void subtractFromValues (const CoeffsMatrix &)
 
CoeffsMatrix & operator+= (const double)
 
CoeffsMatrix & operator+= (const std::vector< double > &)
 
CoeffsMatrix & operator-= (const double)
 
CoeffsMatrix & operator-= (const std::vector< double > &)
 
CoeffsMatrix & operator+= (const CoeffsMatrix &)
 
CoeffsMatrix operator+ (const CoeffsMatrix &) const
 
CoeffsMatrix & operator-= (const CoeffsMatrix &)
 
CoeffsMatrix operator- (const CoeffsMatrix &) const
 
double getMinValue () const
 
double getMaxValue () const
 
void randomizeValuesGaussian (int)
 
void resetAveragingCounter ()
 
void setupExponentiallyDecayingAveraging (const unsigned int averaging_exp_decay_in)
 
void turnOffExponentiallyDecayingAveraging ()
 
void resetAveraging ()
 
void addToAverage (const CoeffsMatrix &)
 
void addToAverage (const CoeffsMatrix &, const unsigned int)
 
void writeToFile (OFile &)
 
void writeToFile (const std::string &, const bool append_file=false, Action *action_pntr=NULL)
 
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 (CoeffsMatrix &, CoeffsMatrix &)
 
static bool sameShape (CoeffsVector &, CoeffsMatrix &)
 
static bool sameShape (CoeffsMatrix &, CoeffsVector &)
 
static void averageMatrices (CoeffsMatrix &, CoeffsMatrix &)
 
static void averageMatrices (const std::vector< CoeffsMatrix *> &)
 

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

void setupMatrix ()
 
CoeffsMatrix & operator= (const CoeffsMatrix &)
 
void writeDataToFile (OFile &)
 
void writeMatrixInfoToFile (OFile &)
 
void writeHeaderToFile (OFile &)
 
void writeDataDiagonalToFile (OFile &)
 
void writeDataFullToFile (OFile &)
 

Private Attributes

std::vector< double > data
 
size_t size_
 
size_t nrows_
 
size_t ncolumns_
 
bool diagonal_
 
unsigned int averaging_counter
 
unsigned int averaging_exp_decay_
 
Communicator & mycomm
 

Friends

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

Constructor & Destructor Documentation

◆ CoeffsMatrix() [1/4]

PLMD::ves::CoeffsMatrix::CoeffsMatrix ( const std::string &  label,
const std::vector< std::string > &  dimension_labels,
const std::vector< unsigned int > &  indices_shape,
Communicator &  cc,
const bool  diagonal = true,
const bool  use_iteration_counter = false 
)
explicit

◆ CoeffsMatrix() [2/4]

PLMD::ves::CoeffsMatrix::CoeffsMatrix ( const std::string &  label,
std::vector< Value *> &  args,
std::vector< BasisFunctions *> &  basisf,
Communicator &  cc,
const bool  diagonal = true,
const bool  use_iteration_counter = false 
)
explicit

◆ CoeffsMatrix() [3/4]

PLMD::ves::CoeffsMatrix::CoeffsMatrix ( const std::string &  label,
std::vector< std::vector< Value *> > &  argsv,
std::vector< std::vector< BasisFunctions *> > &  basisfv,
Communicator &  cc,
const bool  diagonal = true,
const bool  use_iteration_counter = false,
const std::string &  multicoeffs_label = "bias" 
)
explicit

◆ CoeffsMatrix() [4/4]

PLMD::ves::CoeffsMatrix::CoeffsMatrix ( const std::string &  label,
CoeffsVector *  coeffsVec,
Communicator &  cc,
const bool  diagonal = true 
)
explicit

◆ ~CoeffsMatrix()

PLMD::ves::CoeffsMatrix::~CoeffsMatrix ( )

Member Function Documentation

◆ activate()

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

◆ addToAverage() [1/2]

void PLMD::ves::CoeffsMatrix::addToAverage ( const CoeffsMatrix &  coeffsmat)

◆ addToAverage() [2/2]

void PLMD::ves::CoeffsMatrix::addToAverage ( const CoeffsMatrix &  ,
const unsigned  int 
)

◆ addToValue() [1/2]

void PLMD::ves::CoeffsMatrix::addToValue ( const size_t  index1,
const size_t  index2,
const double  value 
)

◆ addToValue() [2/2]

void PLMD::ves::CoeffsMatrix::addToValue ( const std::vector< unsigned int > &  indices1,
const std::vector< unsigned int > &  indices2,
const double  value 
)

◆ addToValues() [1/3]

void PLMD::ves::CoeffsMatrix::addToValues ( const double  value)

◆ addToValues() [2/3]

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

◆ addToValues() [3/3]

void PLMD::ves::CoeffsMatrix::addToValues ( const CoeffsMatrix &  other_coeffsmatrix)

◆ averageMatrices() [1/2]

void PLMD::ves::CoeffsMatrix::averageMatrices ( CoeffsMatrix &  coeffsmat0,
CoeffsMatrix &  coeffsmat1 
)
static

◆ averageMatrices() [2/2]

void PLMD::ves::CoeffsMatrix::averageMatrices ( const std::vector< CoeffsMatrix *> &  coeffsmatSet)
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::CoeffsMatrix::clear ( )

◆ 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::CoeffsMatrix::getCommunicator ( ) const
inline

◆ getDataAsVector()

std::vector<double> PLMD::ves::CoeffsMatrix::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

◆ getLabel()

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

◆ getMatrixIndex()

size_t PLMD::ves::CoeffsMatrix::getMatrixIndex ( const size_t  index1,
const size_t  index2 
) const

◆ getMaxValue()

double PLMD::ves::CoeffsMatrix::getMaxValue ( ) const

◆ getMinValue()

double PLMD::ves::CoeffsMatrix::getMinValue ( ) 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

◆ getSize()

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

◆ 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::CoeffsMatrix::getValue ( const size_t  index1,
const size_t  index2 
) const

◆ getValue() [2/2]

double PLMD::ves::CoeffsMatrix::getValue ( const std::vector< unsigned int > &  indices1,
const std::vector< unsigned int > &  indices2 
) const

◆ indicesExist()

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

◆ isActive()

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

◆ isDiagonal()

bool PLMD::ves::CoeffsMatrix::isDiagonal ( ) const

◆ 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

◆ isSymmetric()

bool PLMD::ves::CoeffsMatrix::isSymmetric ( ) const

◆ linkAction()

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

◆ linkVesBias()

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

◆ numberOfCoeffs()

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

◆ numberOfDimensions()

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

◆ operator()() [1/4]

double & PLMD::ves::CoeffsMatrix::operator() ( const size_t  index1,
const size_t  index2 
)

◆ operator()() [2/4]

const double & PLMD::ves::CoeffsMatrix::operator() ( const size_t  index1,
const size_t  index2 
) const

◆ operator()() [3/4]

double & PLMD::ves::CoeffsMatrix::operator() ( const std::vector< unsigned int > &  indices1,
const std::vector< unsigned int > &  indices2 
)

◆ operator()() [4/4]

const double & PLMD::ves::CoeffsMatrix::operator() ( const std::vector< unsigned int > &  indices1,
const std::vector< unsigned int > &  indices2 
) const

◆ operator*()

CoeffsMatrix PLMD::ves::CoeffsMatrix::operator* ( const CoeffsMatrix &  other_coeffsmatrix) const

◆ operator*=() [1/2]

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

◆ operator*=() [2/2]

CoeffsMatrix & PLMD::ves::CoeffsMatrix::operator*= ( const CoeffsMatrix &  other_coeffsmatrix)

◆ operator+() [1/2]

CoeffsMatrix PLMD::ves::CoeffsMatrix::operator+ ( ) const

◆ operator+() [2/2]

CoeffsMatrix PLMD::ves::CoeffsMatrix::operator+ ( const CoeffsMatrix &  other_coeffsmatrix) const

◆ operator+=() [1/3]

CoeffsMatrix & PLMD::ves::CoeffsMatrix::operator+= ( const double  value)

◆ operator+=() [2/3]

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

◆ operator+=() [3/3]

CoeffsMatrix & PLMD::ves::CoeffsMatrix::operator+= ( const CoeffsMatrix &  other_coeffsmatrix)

◆ operator-() [1/2]

CoeffsMatrix PLMD::ves::CoeffsMatrix::operator- ( ) const

◆ operator-() [2/2]

CoeffsMatrix PLMD::ves::CoeffsMatrix::operator- ( const CoeffsMatrix &  other_coeffsmatrix) const

◆ operator-=() [1/3]

CoeffsMatrix & PLMD::ves::CoeffsMatrix::operator-= ( const double  value)

◆ operator-=() [2/3]

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

◆ operator-=() [3/3]

CoeffsMatrix & PLMD::ves::CoeffsMatrix::operator-= ( const CoeffsMatrix &  other_coeffsmatrix)

◆ operator=() [1/3]

CoeffsMatrix& PLMD::ves::CoeffsMatrix::operator= ( const CoeffsMatrix &  )
private

◆ operator=() [2/3]

CoeffsMatrix & PLMD::ves::CoeffsMatrix::operator= ( const double  value)

◆ operator=() [3/3]

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

◆ randomizeValuesGaussian()

void PLMD::ves::CoeffsMatrix::randomizeValuesGaussian ( int  randomSeed)

◆ resetAveraging()

void PLMD::ves::CoeffsMatrix::resetAveraging ( )

◆ resetAveragingCounter()

void PLMD::ves::CoeffsMatrix::resetAveragingCounter ( )
inline

◆ resetOutputFmt()

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

◆ 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() [1/6]

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

◆ sameShape() [2/6]

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

◆ sameShape() [3/6]

bool PLMD::ves::CoeffsMatrix::sameShape ( CoeffsMatrix &  coeffsmat0,
CoeffsMatrix &  coeffsmat1 
)
static

◆ sameShape() [4/6]

bool PLMD::ves::CoeffsMatrix::sameShape ( CoeffsVector &  coeffsvec,
CoeffsMatrix &  coeffsmat 
)
static

◆ sameShape() [5/6]

bool PLMD::ves::CoeffsMatrix::sameShape ( CoeffsMatrix &  coeffsmat,
CoeffsVector &  coeffsvec 
)
static

◆ sameShape() [6/6]

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

◆ scaleAllValues()

void PLMD::ves::CoeffsMatrix::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::CoeffsMatrix::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::CoeffsMatrix::setupExponentiallyDecayingAveraging ( const unsigned int  averaging_exp_decay_in)
inline

◆ setupMatrix()

void PLMD::ves::CoeffsMatrix::setupMatrix ( )
private

◆ setValue() [1/2]

void PLMD::ves::CoeffsMatrix::setValue ( const size_t  index1,
const size_t  index2,
const double  value 
)

◆ setValue() [2/2]

void PLMD::ves::CoeffsMatrix::setValue ( const std::vector< unsigned int > &  indices1,
const std::vector< unsigned int > &  indices2,
const double  value 
)

◆ setValues() [1/3]

void PLMD::ves::CoeffsMatrix::setValues ( const double  value)

◆ setValues() [2/3]

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

◆ setValues() [3/3]

void PLMD::ves::CoeffsMatrix::setValues ( const CoeffsMatrix &  other_coeffsmatrix)

◆ 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::CoeffsMatrix::subtractFromValues ( const double  value)

◆ subtractFromValues() [2/3]

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

◆ subtractFromValues() [3/3]

void PLMD::ves::CoeffsMatrix::subtractFromValues ( const CoeffsMatrix &  other_coeffsmatrix)

◆ sumCommMPI() [1/2]

void PLMD::ves::CoeffsMatrix::sumCommMPI ( )

◆ sumCommMPI() [2/2]

void PLMD::ves::CoeffsMatrix::sumCommMPI ( Communicator &  cc)

◆ sumMultiSimCommMPI()

void PLMD::ves::CoeffsMatrix::sumMultiSimCommMPI ( Communicator &  multi_sim_cc)

◆ turnOffExponentiallyDecayingAveraging()

void PLMD::ves::CoeffsMatrix::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

◆ writeDataDiagonalToFile()

void PLMD::ves::CoeffsMatrix::writeDataDiagonalToFile ( OFile &  ofile)
private

◆ writeDataFullToFile()

void PLMD::ves::CoeffsMatrix::writeDataFullToFile ( OFile &  ofile)
private

◆ writeDataToFile()

void PLMD::ves::CoeffsMatrix::writeDataToFile ( OFile &  ofile)
private

◆ writeHeaderToFile()

void PLMD::ves::CoeffsMatrix::writeHeaderToFile ( OFile &  ofile)
private

◆ writeIterationCounterAndTimeToFile()

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

◆ writeMatrixInfoToFile()

void PLMD::ves::CoeffsMatrix::writeMatrixInfoToFile ( OFile &  ofile)
private

◆ writeTimeInfoToFile()

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

◆ writeToFile() [1/2]

void PLMD::ves::CoeffsMatrix::writeToFile ( OFile &  ofile)

◆ writeToFile() [2/2]

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

Friends And Related Function Documentation

◆ operator* [1/3]

CoeffsVector operator* ( const CoeffsMatrix &  coeffs_matrix,
const CoeffsVector &  coeffs_vector 
)
friend

◆ operator* [2/3]

CoeffsMatrix operator* ( const double  scalef,
const CoeffsMatrix &  coeffsmatrix 
)
friend

◆ operator* [3/3]

CoeffsMatrix operator* ( const CoeffsMatrix &  coeffsmatrix,
const double  scalef 
)
friend

◆ operator+ [1/4]

CoeffsMatrix operator+ ( const double  value,
const CoeffsMatrix &  coeffsmatrix 
)
friend

◆ operator+ [2/4]

CoeffsMatrix operator+ ( const CoeffsMatrix &  coeffsmatrix,
const double  value 
)
friend

◆ operator+ [3/4]

CoeffsMatrix operator+ ( const std::vector< double > &  values,
const CoeffsMatrix &  coeffsmatrix 
)
friend

◆ operator+ [4/4]

CoeffsMatrix operator+ ( const CoeffsMatrix &  coeffsmatrix,
const std::vector< double > &  values 
)
friend

◆ operator- [1/4]

CoeffsMatrix operator- ( const double  value,
const CoeffsMatrix &  coeffsmatrix 
)
friend

◆ operator- [2/4]

CoeffsMatrix operator- ( const CoeffsMatrix &  coeffsmatrix,
const double  value 
)
friend

◆ operator- [3/4]

CoeffsMatrix operator- ( const std::vector< double > &  values,
const CoeffsMatrix &  coeffsmatrix 
)
friend

◆ operator- [4/4]

CoeffsMatrix operator- ( const CoeffsMatrix &  coeffsmatrix,
const std::vector< double > &  values 
)
friend

Member Data Documentation

◆ averaging_counter

unsigned int PLMD::ves::CoeffsMatrix::averaging_counter
private

◆ averaging_exp_decay_

unsigned int PLMD::ves::CoeffsMatrix::averaging_exp_decay_
private

◆ data

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

◆ diagonal_

bool PLMD::ves::CoeffsMatrix::diagonal_
private

◆ mycomm

Communicator& PLMD::ves::CoeffsMatrix::mycomm
private

◆ ncolumns_

size_t PLMD::ves::CoeffsMatrix::ncolumns_
private

◆ nrows_

size_t PLMD::ves::CoeffsMatrix::nrows_
private

◆ size_

size_t PLMD::ves::CoeffsMatrix::size_
private
The documentation for this class was generated from the following files:
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