action_pntr_ | PLMD::ves::CoeffsBase | private |
activate() | PLMD::ves::CoeffsBase | inline |
active | PLMD::ves::CoeffsBase | private |
addToAverage(const CoeffsVector &) | PLMD::ves::CoeffsVector | |
addToValue(const size_t, const double) | PLMD::ves::CoeffsVector | |
addToValue(const std::vector< unsigned int > &, const double) | PLMD::ves::CoeffsVector | |
addToValues(const double) | PLMD::ves::CoeffsVector | |
addToValues(const std::vector< double > &) | PLMD::ves::CoeffsVector | |
addToValues(const CoeffsVector &) | PLMD::ves::CoeffsVector | |
args_ | PLMD::ves::CoeffsBase | private |
averageVectors(CoeffsVector &, CoeffsVector &) | PLMD::ves::CoeffsVector | static |
averageVectors(const std::vector< CoeffsVector * > &) | PLMD::ves::CoeffsVector | static |
averaging_counter | PLMD::ves::CoeffsVector | private |
averaging_exp_decay_ | PLMD::ves::CoeffsVector | private |
basisf_ | PLMD::ves::CoeffsBase | private |
checkCoeffsInfo(const std::string &, const std::string &, const unsigned int, const size_t, const std::vector< unsigned int > &) | PLMD::ves::CoeffsBase | |
clear() | PLMD::ves::CoeffsVector | |
coeffs_descriptions_ | PLMD::ves::CoeffsBase | private |
coeffs_type_ | PLMD::ves::CoeffsBase | private |
CoeffsBase() | PLMD::ves::CoeffsBase | explicit |
CoeffsBase(const std::string &, const std::vector< std::string > &, const std::vector< unsigned int > &, const bool use_iteration_counter=false) | PLMD::ves::CoeffsBase | explicit |
CoeffsBase(const std::string &, const std::vector< Value * > &, std::vector< BasisFunctions * > &, const bool use_iteration_counter=false) | PLMD::ves::CoeffsBase | explicit |
CoeffsBase(const std::string &, std::vector< std::vector< Value * > > &, std::vector< std::vector< BasisFunctions * > > &, const bool use_iteration_counter=false, const std::string &multicoeffs_label="bias") | PLMD::ves::CoeffsBase | explicit |
CoeffsType enum name | PLMD::ves::CoeffsBase | private |
CoeffsVector(const std::string &, const std::vector< std::string > &, const std::vector< unsigned int > &, Communicator &, const bool use_counter=false) | PLMD::ves::CoeffsVector | explicit |
CoeffsVector(const std::string &, const std::vector< Value * > &, std::vector< BasisFunctions * > &, Communicator &, const bool use_counter=false) | PLMD::ves::CoeffsVector | explicit |
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") | PLMD::ves::CoeffsVector | explicit |
CoeffsVector(const std::string &, CoeffsMatrix *, Communicator &) | PLMD::ves::CoeffsVector | explicit |
countValues(const double) const | PLMD::ves::CoeffsVector | |
data | PLMD::ves::CoeffsVector | private |
data_label_ | PLMD::ves::CoeffsBase | private |
deactivate() | PLMD::ves::CoeffsBase | inline |
dimension_labels_ | PLMD::ves::CoeffsBase | private |
field_iteration_ | PLMD::ves::CoeffsBase | private |
field_ncoeffs_total_ | PLMD::ves::CoeffsBase | private |
field_ndimensions_ | PLMD::ves::CoeffsBase | private |
field_shape_prefix_ | PLMD::ves::CoeffsBase | private |
field_time_ | PLMD::ves::CoeffsBase | private |
field_type_ | PLMD::ves::CoeffsBase | private |
Generic enum value | PLMD::ves::CoeffsBase | private |
getAllCoeffsDescriptions() const | PLMD::ves::CoeffsBase | inline |
getAllDimensionLabels() const | PLMD::ves::CoeffsBase | inline |
getCoeffDescription(const size_t index) const | PLMD::ves::CoeffsBase | inline |
getCoeffDescription(const std::vector< unsigned int > &) const | PLMD::ves::CoeffsBase | inline |
getCoeffsInfoFromFile(IFile &, const bool ignore_coeffs_info=false) | PLMD::ves::CoeffsBase | |
getCommunicator() const | PLMD::ves::CoeffsVector | inline |
getDataAsVector() const | PLMD::ves::CoeffsVector | inline |
getDataLabel() const | PLMD::ves::CoeffsBase | inline |
getDimensionLabel(const unsigned int) const | PLMD::ves::CoeffsBase | inline |
getIndex(const std::vector< unsigned int > &) const | PLMD::ves::CoeffsBase | inline |
getIndices(const size_t) const | PLMD::ves::CoeffsBase | inline |
getIterationCounter() const | PLMD::ves::CoeffsBase | inline |
getIterationCounterAndTimeFromFile(IFile &) | PLMD::ves::CoeffsBase | protected |
getL1Norm() const | PLMD::ves::CoeffsVector | |
getL2Norm() const | PLMD::ves::CoeffsVector | |
getLabel() const | PLMD::ves::CoeffsBase | inline |
getLpNorm(const double) const | PLMD::ves::CoeffsVector | |
getMaxAbsValue() const | PLMD::ves::CoeffsVector | |
getMaxAbsValue(size_t &) const | PLMD::ves::CoeffsVector | |
getMaxValue() const | PLMD::ves::CoeffsVector | |
getMaxValue(size_t &) const | PLMD::ves::CoeffsVector | |
getMinAbsValue() const | PLMD::ves::CoeffsVector | |
getMinAbsValue(size_t &) const | PLMD::ves::CoeffsVector | |
getMinValue() const | PLMD::ves::CoeffsVector | |
getMinValue(size_t &) const | PLMD::ves::CoeffsVector | |
getNorm() const | PLMD::ves::CoeffsVector | |
getOutputFmt() const | PLMD::ves::CoeffsBase | inline |
getPntrToAction() const | PLMD::ves::CoeffsBase | inline |
getPntrToVesBias() const | PLMD::ves::CoeffsBase | inline |
getRMS() const | PLMD::ves::CoeffsVector | |
getSize() const | PLMD::ves::CoeffsVector | inline |
getTimeValue() const | PLMD::ves::CoeffsBase | inline |
getType() const | PLMD::ves::CoeffsBase | inline |
getTypeStr() const | PLMD::ves::CoeffsBase | |
getValue(const size_t) const | PLMD::ves::CoeffsVector | inline |
getValue(const std::vector< unsigned int > &) const | PLMD::ves::CoeffsVector | inline |
indices_shape_ | PLMD::ves::CoeffsBase | private |
indicesExist(const std::vector< unsigned int > &) const | PLMD::ves::CoeffsBase | |
initializeIndices(const std::vector< unsigned int > &, const std::vector< std::string > &) | PLMD::ves::CoeffsBase | private |
isActive() const | PLMD::ves::CoeffsBase | inline |
isGenericCoeffs() const | PLMD::ves::CoeffsBase | inline |
isIterationCounterActive() const | PLMD::ves::CoeffsBase | inline |
isLinearBasisSetCoeffs() const | PLMD::ves::CoeffsBase | inline |
isMultiLinearBasisSetCoeffs() const | PLMD::ves::CoeffsBase | inline |
iteration_and_time_active_ | PLMD::ves::CoeffsBase | private |
iteration_opt | PLMD::ves::CoeffsBase | private |
label_ | PLMD::ves::CoeffsBase | private |
LinearBasisSet enum value | PLMD::ves::CoeffsBase | private |
linkAction(Action *) | PLMD::ves::CoeffsBase | |
linkVesBias(VesBias *) | PLMD::ves::CoeffsBase | |
multicoeffs_ | PLMD::ves::CoeffsBase | private |
multicoeffs_args_ | PLMD::ves::CoeffsBase | private |
multicoeffs_basisf_ | PLMD::ves::CoeffsBase | private |
MultiCoeffs_LinearBasisSet enum value | PLMD::ves::CoeffsBase | private |
multiplyWithValues(const std::vector< double > &) | PLMD::ves::CoeffsVector | |
mycomm | PLMD::ves::CoeffsVector | private |
ncoeffs_ | PLMD::ves::CoeffsBase | private |
ndimensions_ | PLMD::ves::CoeffsBase | private |
normalizeCoeffs() | PLMD::ves::CoeffsVector | |
numberOfCoeffs() const | PLMD::ves::CoeffsBase | inline |
numberOfDimensions() const | PLMD::ves::CoeffsBase | inline |
operator()(const size_t index) | PLMD::ves::CoeffsVector | |
operator()(const size_t index) const | PLMD::ves::CoeffsVector | |
operator()(const std::vector< unsigned int > &) | PLMD::ves::CoeffsVector | |
operator()(const std::vector< unsigned int > &) const | PLMD::ves::CoeffsVector | |
operator*(const double, const CoeffsVector &) | PLMD::ves::CoeffsVector | friend |
operator*(const CoeffsVector &, const double) | PLMD::ves::CoeffsVector | friend |
operator*(const std::vector< double > &, const CoeffsVector &) | PLMD::ves::CoeffsVector | friend |
operator*(const CoeffsVector &, const std::vector< double > &) | PLMD::ves::CoeffsVector | friend |
operator*(const CoeffsVector &) const | PLMD::ves::CoeffsVector | |
operator*=(const double) | PLMD::ves::CoeffsVector | |
operator*=(const std::vector< double > &) | PLMD::ves::CoeffsVector | |
operator*=(const CoeffsVector &) | PLMD::ves::CoeffsVector | |
operator+() const | PLMD::ves::CoeffsVector | |
operator+(const double, const CoeffsVector &) | PLMD::ves::CoeffsVector | friend |
operator+(const CoeffsVector &, const double) | PLMD::ves::CoeffsVector | friend |
operator+(const std::vector< double > &, const CoeffsVector &) | PLMD::ves::CoeffsVector | friend |
operator+(const CoeffsVector &, const std::vector< double > &) | PLMD::ves::CoeffsVector | friend |
operator+(const CoeffsVector &) const | PLMD::ves::CoeffsVector | |
operator+=(const double) | PLMD::ves::CoeffsVector | |
operator+=(const std::vector< double > &) | PLMD::ves::CoeffsVector | |
operator+=(const CoeffsVector &) | PLMD::ves::CoeffsVector | |
operator-() const | PLMD::ves::CoeffsVector | |
operator-(const double, const CoeffsVector &) | PLMD::ves::CoeffsVector | friend |
operator-(const CoeffsVector &, const double) | PLMD::ves::CoeffsVector | friend |
operator-(const std::vector< double > &, const CoeffsVector &) | PLMD::ves::CoeffsVector | friend |
operator-(const CoeffsVector &, const std::vector< double > &) | PLMD::ves::CoeffsVector | friend |
operator-(const CoeffsVector &) const | PLMD::ves::CoeffsVector | |
operator-=(const double) | PLMD::ves::CoeffsVector | |
operator-=(const std::vector< double > &) | PLMD::ves::CoeffsVector | |
operator-=(const CoeffsVector &) | PLMD::ves::CoeffsVector | |
operator=(const CoeffsVector &) | PLMD::ves::CoeffsVector | private |
operator=(const double) | PLMD::ves::CoeffsVector | |
operator=(const std::vector< double > &) | PLMD::ves::CoeffsVector | |
operator[](const size_t index) | PLMD::ves::CoeffsVector | |
operator[](const size_t index) const | PLMD::ves::CoeffsVector | |
operator[](const std::vector< unsigned int > &) | PLMD::ves::CoeffsVector | |
operator[](const std::vector< unsigned int > &) const | PLMD::ves::CoeffsVector | |
output_fmt_ | PLMD::ves::CoeffsBase | private |
randomizeValuesGaussian(int) | PLMD::ves::CoeffsVector | |
readDataFromFile(IFile &, const bool ignore_missing_coeffs=false) | PLMD::ves::CoeffsVector | private |
readFromFile(IFile &, const bool ignore_missing_coeffs=false, const bool ignore_header=false) | PLMD::ves::CoeffsVector | |
readFromFile(const std::string &, const bool ignore_missing_coeffs=false, const bool ignore_header=false) | PLMD::ves::CoeffsVector | |
readHeaderFromFile(IFile &, const bool ignore_coeffs_info=false) | PLMD::ves::CoeffsVector | private |
readOneSetFromFile(IFile &ifile, const bool ignore_header=false) | PLMD::ves::CoeffsVector | |
reinitializeIndices(const std::vector< unsigned int > &) | PLMD::ves::CoeffsBase | private |
replaceLabelString(const std::string &, const std::string &) | PLMD::ves::CoeffsBase | |
resetAveraging() | PLMD::ves::CoeffsVector | |
resetAveragingCounter() | PLMD::ves::CoeffsVector | inline |
resetOutputFmt() | PLMD::ves::CoeffsBase | inline |
resizeCoeffs(const std::vector< unsigned int > &) | PLMD::ves::CoeffsVector | |
resizeCoeffs(std::vector< BasisFunctions * > &) | PLMD::ves::CoeffsVector | |
resizeIndices(const std::vector< unsigned int > &) | PLMD::ves::CoeffsBase | protected |
resizeIndices(std::vector< BasisFunctions * > &) | PLMD::ves::CoeffsBase | protected |
sameShape(CoeffsVector &) const | PLMD::ves::CoeffsVector | |
sameShape(CoeffsMatrix &) const | PLMD::ves::CoeffsVector | |
sameShape(CoeffsVector &, CoeffsVector &) | PLMD::ves::CoeffsVector | static |
PLMD::ves::CoeffsBase::sameShape(const CoeffsBase &) const | PLMD::ves::CoeffsBase | protected |
scaleAllValues(const double) | PLMD::ves::CoeffsVector | |
setAllCoeffsDescriptions(const std::string &description_prefix="C") | PLMD::ves::CoeffsBase | |
setAllCoeffsDescriptions(const std::vector< std::string > &) | PLMD::ves::CoeffsBase | |
setAllDimensionLabels(const std::string &) | PLMD::ves::CoeffsBase | |
setAllDimensionLabels(const std::vector< std::string > &) | PLMD::ves::CoeffsBase | |
setAllValuesToZero() | PLMD::ves::CoeffsVector | |
setCoeffDescription(const size_t, const std::string &) | PLMD::ves::CoeffsBase | |
setCoeffDescription(const std::vector< unsigned int > &, const std::string &) | PLMD::ves::CoeffsBase | |
setDataLabel(const std::string &) | PLMD::ves::CoeffsBase | |
setDimensionLabel(const unsigned int, const std::string &) | PLMD::ves::CoeffsBase | |
setIterationCounter(const unsigned int) | PLMD::ves::CoeffsBase | inline |
setIterationCounterAndTime(const unsigned int, const double) | PLMD::ves::CoeffsBase | inline |
setLabel(const std::string &) | PLMD::ves::CoeffsBase | |
setLabels(const std::string &) | PLMD::ves::CoeffsBase | |
setLabels(const std::string &, const std::string &) | PLMD::ves::CoeffsBase | |
setOutputFmt(const std::string &ss) | PLMD::ves::CoeffsBase | inline |
setTime(const double) | PLMD::ves::CoeffsBase | inline |
setType(const CoeffsType coeffs_type) | PLMD::ves::CoeffsBase | |
setupBasisFunctionsInfo() | PLMD::ves::CoeffsBase | protected |
setupExponentiallyDecayingAveraging(const unsigned int averaging_exp_decay_in) | PLMD::ves::CoeffsVector | inline |
setValue(const size_t, const double) | PLMD::ves::CoeffsVector | |
setValue(const std::vector< unsigned int > &, const double) | PLMD::ves::CoeffsVector | |
setValues(const double) | PLMD::ves::CoeffsVector | |
setValues(const std::vector< double > &) | PLMD::ves::CoeffsVector | |
setValues(const CoeffsVector &) | PLMD::ves::CoeffsVector | |
setValuesFromDifferentShape(const CoeffsVector &) | PLMD::ves::CoeffsVector | |
shapeOfIndices() const | PLMD::ves::CoeffsBase | inline |
shapeOfIndices(const unsigned int dim_index) const | PLMD::ves::CoeffsBase | inline |
subtractFromValues(const double) | PLMD::ves::CoeffsVector | |
subtractFromValues(const std::vector< double > &) | PLMD::ves::CoeffsVector | |
subtractFromValues(const CoeffsVector &) | PLMD::ves::CoeffsVector | |
sumCommMPI() | PLMD::ves::CoeffsVector | |
sumCommMPI(Communicator &cc) | PLMD::ves::CoeffsVector | |
sumMultiSimCommMPI(Communicator &) | PLMD::ves::CoeffsVector | |
time_md | PLMD::ves::CoeffsBase | private |
turnOffExponentiallyDecayingAveraging() | PLMD::ves::CoeffsVector | inline |
turnOffIterationCounter() | PLMD::ves::CoeffsBase | inline |
turnOnIterationCounter() | PLMD::ves::CoeffsBase | inline |
vesbias_pntr_ | PLMD::ves::CoeffsBase | private |
writeCoeffsInfoToFile(OFile &) const | PLMD::ves::CoeffsBase | |
writeDataToFile(OFile &, const std::vector< CoeffsVector * > &, const bool print_description=false) | PLMD::ves::CoeffsVector | privatestatic |
writeHeaderToFile(OFile &) const | PLMD::ves::CoeffsVector | private |
writeIterationCounterAndTimeToFile(OFile &) const | PLMD::ves::CoeffsBase | protected |
writeTimeInfoToFile(OFile &, const double) const | PLMD::ves::CoeffsBase | |
writeToFile(const std::string &, const bool print_description=false, const bool append_file=false, Action *action_pntr=NULL) | PLMD::ves::CoeffsVector | |
writeToFile(OFile &, const bool print_description=false) | PLMD::ves::CoeffsVector | |
writeToFile(OFile &ofile, CoeffsVector *, const bool print_coeffs_descriptions=false) | PLMD::ves::CoeffsVector | |
writeToFile(const std::string &, const std::vector< CoeffsVector * > &, const bool print_description=false, const bool append_file=false, Action *action_pntr=NULL) | PLMD::ves::CoeffsVector | static |
writeToFile(OFile &, const std::vector< CoeffsVector * > &, const bool print_description=false) | PLMD::ves::CoeffsVector | static |
~CoeffsBase() | PLMD::ves::CoeffsBase | |
~CoeffsVector() | PLMD::ves::CoeffsVector | |