Public Member Functions | Static Public Member Functions | Protected Member Functions | Private Types | Private Member Functions | Private Attributes | Friends | List of all members
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 &, CoeffsVector *, Communicator &cc, const bool diagonal=true)
 
 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< 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 &, std::vector< Value * > &, std::vector< BasisFunctions * > &, Communicator &cc, const bool diagonal=true, const bool use_iteration_counter=false)
 
 ~CoeffsMatrix ()
 
void activate ()
 
void addToAverage (const CoeffsMatrix &)
 
void addToAverage (const CoeffsMatrix &, const unsigned int)
 
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 addToValues (const CoeffsMatrix &)
 
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 ()
 
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)
 
CommunicatorgetCommunicator () 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
 
std::string getLabel () const
 
size_t getMatrixIndex (const size_t, const size_t) const
 
double getMaxValue () const
 
double getMinValue () const
 
std::string getOutputFmt () const
 
ActiongetPntrToAction () const
 
VesBiasgetPntrToVesBias () const
 
size_t getSize () const
 
double getTimeValue () const
 
CoeffsType getType () const
 
std::string getTypeStr () const
 
double getValue (const size_t, const size_t) const
 
double getValue (const std::vector< unsigned int > &, const std::vector< unsigned int > &) const
 
bool indicesExist (const std::vector< unsigned int > &) const
 
bool isActive () const
 
bool isDiagonal () const
 
bool isGenericCoeffs () const
 
bool isIterationCounterActive () const
 
bool isLinearBasisSetCoeffs () const
 
bool isMultiLinearBasisSetCoeffs () const
 
bool isSymmetric () const
 
void linkAction (Action *)
 
void linkVesBias (VesBias *)
 
size_t numberOfCoeffs () const
 
unsigned int numberOfDimensions () const
 
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
 
CoeffsMatrix operator* (const CoeffsMatrix &) const
 
CoeffsMatrixoperator*= (const CoeffsMatrix &)
 
CoeffsMatrixoperator*= (const double)
 
CoeffsMatrix operator+ () const
 
CoeffsMatrix operator+ (const CoeffsMatrix &) const
 
CoeffsMatrixoperator+= (const CoeffsMatrix &)
 
CoeffsMatrixoperator+= (const double)
 
CoeffsMatrixoperator+= (const std::vector< double > &)
 
CoeffsMatrix operator- () const
 
CoeffsMatrix operator- (const CoeffsMatrix &) const
 
CoeffsMatrixoperator-= (const CoeffsMatrix &)
 
CoeffsMatrixoperator-= (const double)
 
CoeffsMatrixoperator-= (const std::vector< double > &)
 
CoeffsMatrixoperator= (const double)
 
CoeffsMatrixoperator= (const std::vector< double > &)
 
void randomizeValuesGaussian (int)
 
void replaceLabelString (const std::string &, const std::string &)
 
void resetAveraging ()
 
void resetAveragingCounter ()
 
void resetOutputFmt ()
 
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 size_t, const double)
 
void setValue (const std::vector< unsigned int > &, const std::vector< unsigned int > &, const double)
 
void setValues (const CoeffsMatrix &)
 
void setValues (const double)
 
void setValues (const std::vector< double > &)
 
std::vector< unsigned int > shapeOfIndices () const
 
unsigned int shapeOfIndices (const unsigned int dim_index) const
 
void subtractFromValues (const CoeffsMatrix &)
 
void subtractFromValues (const double)
 
void subtractFromValues (const std::vector< double > &)
 
void sumCommMPI ()
 
void sumCommMPI (Communicator &)
 
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 append_file=false, Action *action_pntr=NULL)
 
void writeToFile (OFile &)
 

Static Public Member Functions

static void averageMatrices (CoeffsMatrix &, CoeffsMatrix &)
 
static void averageMatrices (const std::vector< CoeffsMatrix * > &)
 
static bool sameShape (CoeffsMatrix &, CoeffsMatrix &)
 
static bool sameShape (CoeffsMatrix &, CoeffsVector &)
 
static bool sameShape (CoeffsVector &, CoeffsMatrix &)
 

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 > &)
 
CoeffsMatrixoperator= (const CoeffsMatrix &)
 
void reinitializeIndices (const std::vector< unsigned int > &)
 
void setupMatrix ()
 
void writeDataDiagonalToFile (OFile &)
 
void writeDataFullToFile (OFile &)
 
void writeDataToFile (OFile &)
 
void writeHeaderToFile (OFile &)
 
void writeMatrixInfoToFile (OFile &)
 

Private Attributes

Actionaction_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_
 
bool diagonal_
 
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_
 
Communicatormycomm
 
size_t ncoeffs_
 
size_t ncolumns_
 
unsigned int ndimensions_
 
size_t nrows_
 
std::string output_fmt_
 
size_t size_
 
double time_md
 
VesBiasvesbias_pntr_
 

Friends

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

Member Enumeration Documentation

◆ CoeffsType

enum PLMD::ves::CoeffsBase::CoeffsType
privateinherited
Enumerator
Generic 
LinearBasisSet 
MultiCoeffs_LinearBasisSet 

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 CoeffsMatrix other_coeffsmatrix)

◆ addToValues() [2/3]

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

◆ addToValues() [3/3]

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

◆ 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

◆ 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

◆ 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 CoeffsMatrix other_coeffsmatrix)

◆ operator*=() [2/2]

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

◆ 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 CoeffsMatrix other_coeffsmatrix)

◆ operator+=() [2/3]

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

◆ operator+=() [3/3]

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

◆ 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 CoeffsMatrix other_coeffsmatrix)

◆ operator-=() [2/3]

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

◆ operator-=() [3/3]

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

◆ 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)

◆ 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::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 ( CoeffsMatrix coeffsmat_in) const

◆ sameShape() [2/6]

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

◆ sameShape() [3/6]

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

◆ sameShape() [4/6]

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

◆ sameShape() [5/6]

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

◆ setValues() [2/3]

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

◆ setValues() [3/3]

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

◆ 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 CoeffsMatrix other_coeffsmatrix)

◆ subtractFromValues() [2/3]

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

◆ subtractFromValues() [3/3]

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

◆ 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 ( const std::string &  filepath,
const bool  append_file = false,
Action action_pntr = NULL 
)

◆ writeToFile() [2/2]

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

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 CoeffsMatrix coeffsmatrix,
const double  scalef 
)
friend

◆ operator* [3/3]

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

◆ operator+ [1/4]

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

◆ operator+ [2/4]

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

◆ operator+ [3/4]

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

◆ operator+ [4/4]

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

◆ operator- [1/4]

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

◆ operator- [2/4]

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

◆ operator- [3/4]

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

◆ operator- [4/4]

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

◆ averaging_exp_decay_

unsigned int PLMD::ves::CoeffsMatrix::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::CoeffsMatrix::data
private

◆ data_label_

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

◆ diagonal_

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

◆ 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::CoeffsMatrix::mycomm
private

◆ ncoeffs_

size_t PLMD::ves::CoeffsBase::ncoeffs_
privateinherited

◆ ncolumns_

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

◆ ndimensions_

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

◆ nrows_

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

◆ output_fmt_

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

◆ size_

size_t PLMD::ves::CoeffsMatrix::size_
private

◆ 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: