action_pntr_ | PLMD::ves::CoeffsBase | private |
activate() | PLMD::ves::CoeffsBase | inline |
active | PLMD::ves::CoeffsBase | private |
addToAverage(const CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | |
addToAverage(const CoeffsMatrix &, const unsigned int) | PLMD::ves::CoeffsMatrix | |
addToValue(const size_t, const size_t, const double) | PLMD::ves::CoeffsMatrix | |
addToValue(const std::vector< unsigned int > &, const std::vector< unsigned int > &, const double) | PLMD::ves::CoeffsMatrix | |
addToValues(const double) | PLMD::ves::CoeffsMatrix | |
addToValues(const std::vector< double > &) | PLMD::ves::CoeffsMatrix | |
addToValues(const CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | |
args_ | PLMD::ves::CoeffsBase | private |
averageMatrices(CoeffsMatrix &, CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | static |
averageMatrices(const std::vector< CoeffsMatrix * > &) | PLMD::ves::CoeffsMatrix | static |
averaging_counter | PLMD::ves::CoeffsMatrix | private |
averaging_exp_decay_ | PLMD::ves::CoeffsMatrix | 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::CoeffsMatrix | |
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 &, 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 |
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) | PLMD::ves::CoeffsMatrix | explicit |
CoeffsMatrix(const std::string &, std::vector< Value * > &, std::vector< BasisFunctions * > &, Communicator &cc, const bool diagonal=true, const bool use_iteration_counter=false) | PLMD::ves::CoeffsMatrix | explicit |
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") | PLMD::ves::CoeffsMatrix | explicit |
CoeffsMatrix(const std::string &, CoeffsVector *, Communicator &cc, const bool diagonal=true) | PLMD::ves::CoeffsMatrix | explicit |
CoeffsType enum name | PLMD::ves::CoeffsBase | private |
data | PLMD::ves::CoeffsMatrix | private |
data_label_ | PLMD::ves::CoeffsBase | private |
deactivate() | PLMD::ves::CoeffsBase | inline |
diagonal_ | PLMD::ves::CoeffsMatrix | private |
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::CoeffsMatrix | inline |
getDataAsVector() const | PLMD::ves::CoeffsMatrix | 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 |
getLabel() const | PLMD::ves::CoeffsBase | inline |
getMatrixIndex(const size_t, const size_t) const | PLMD::ves::CoeffsMatrix | |
getMaxValue() const | PLMD::ves::CoeffsMatrix | |
getMinValue() const | PLMD::ves::CoeffsMatrix | |
getOutputFmt() const | PLMD::ves::CoeffsBase | inline |
getPntrToAction() const | PLMD::ves::CoeffsBase | inline |
getPntrToVesBias() const | PLMD::ves::CoeffsBase | inline |
getSize() const | PLMD::ves::CoeffsMatrix | |
getTimeValue() const | PLMD::ves::CoeffsBase | inline |
getType() const | PLMD::ves::CoeffsBase | inline |
getTypeStr() const | PLMD::ves::CoeffsBase | |
getValue(const size_t, const size_t) const | PLMD::ves::CoeffsMatrix | |
getValue(const std::vector< unsigned int > &, const std::vector< unsigned int > &) const | PLMD::ves::CoeffsMatrix | |
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 |
isDiagonal() const | PLMD::ves::CoeffsMatrix | |
isGenericCoeffs() const | PLMD::ves::CoeffsBase | inline |
isIterationCounterActive() const | PLMD::ves::CoeffsBase | inline |
isLinearBasisSetCoeffs() const | PLMD::ves::CoeffsBase | inline |
isMultiLinearBasisSetCoeffs() const | PLMD::ves::CoeffsBase | inline |
isSymmetric() const | PLMD::ves::CoeffsMatrix | |
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 |
mycomm | PLMD::ves::CoeffsMatrix | private |
ncoeffs_ | PLMD::ves::CoeffsBase | private |
ncolumns_ | PLMD::ves::CoeffsMatrix | private |
ndimensions_ | PLMD::ves::CoeffsBase | private |
nrows_ | PLMD::ves::CoeffsMatrix | private |
numberOfCoeffs() const | PLMD::ves::CoeffsBase | inline |
numberOfDimensions() const | PLMD::ves::CoeffsBase | inline |
operator()(const size_t, const size_t) | PLMD::ves::CoeffsMatrix | |
operator()(const size_t, const size_t) const | PLMD::ves::CoeffsMatrix | |
operator()(const std::vector< unsigned int > &, const std::vector< unsigned int > &) | PLMD::ves::CoeffsMatrix | |
operator()(const std::vector< unsigned int > &, const std::vector< unsigned int > &) const | PLMD::ves::CoeffsMatrix | |
operator*(const CoeffsMatrix &, const CoeffsVector &) | PLMD::ves::CoeffsMatrix | friend |
operator*(const double, const CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | friend |
operator*(const CoeffsMatrix &, const double) | PLMD::ves::CoeffsMatrix | friend |
operator*(const CoeffsMatrix &) const | PLMD::ves::CoeffsMatrix | |
operator*=(const double) | PLMD::ves::CoeffsMatrix | |
operator*=(const CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | |
operator+() const | PLMD::ves::CoeffsMatrix | |
operator+(const double, const CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | friend |
operator+(const CoeffsMatrix &, const double) | PLMD::ves::CoeffsMatrix | friend |
operator+(const std::vector< double > &, const CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | friend |
operator+(const CoeffsMatrix &, const std::vector< double > &) | PLMD::ves::CoeffsMatrix | friend |
operator+(const CoeffsMatrix &) const | PLMD::ves::CoeffsMatrix | |
operator+=(const double) | PLMD::ves::CoeffsMatrix | |
operator+=(const std::vector< double > &) | PLMD::ves::CoeffsMatrix | |
operator+=(const CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | |
operator-() const | PLMD::ves::CoeffsMatrix | |
operator-(const double, const CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | friend |
operator-(const CoeffsMatrix &, const double) | PLMD::ves::CoeffsMatrix | friend |
operator-(const std::vector< double > &, const CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | friend |
operator-(const CoeffsMatrix &, const std::vector< double > &) | PLMD::ves::CoeffsMatrix | friend |
operator-(const CoeffsMatrix &) const | PLMD::ves::CoeffsMatrix | |
operator-=(const double) | PLMD::ves::CoeffsMatrix | |
operator-=(const std::vector< double > &) | PLMD::ves::CoeffsMatrix | |
operator-=(const CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | |
operator=(const CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | private |
operator=(const double) | PLMD::ves::CoeffsMatrix | |
operator=(const std::vector< double > &) | PLMD::ves::CoeffsMatrix | |
output_fmt_ | PLMD::ves::CoeffsBase | private |
randomizeValuesGaussian(int) | PLMD::ves::CoeffsMatrix | |
reinitializeIndices(const std::vector< unsigned int > &) | PLMD::ves::CoeffsBase | private |
resetAveraging() | PLMD::ves::CoeffsMatrix | |
resetAveragingCounter() | PLMD::ves::CoeffsMatrix | inline |
resetOutputFmt() | PLMD::ves::CoeffsBase | inline |
resizeIndices(const std::vector< unsigned int > &) | PLMD::ves::CoeffsBase | protected |
resizeIndices(std::vector< BasisFunctions * > &) | PLMD::ves::CoeffsBase | protected |
sameShape(CoeffsVector &) const | PLMD::ves::CoeffsMatrix | |
sameShape(CoeffsMatrix &) const | PLMD::ves::CoeffsMatrix | |
sameShape(CoeffsMatrix &, CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | static |
sameShape(CoeffsVector &, CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | static |
sameShape(CoeffsMatrix &, CoeffsVector &) | PLMD::ves::CoeffsMatrix | static |
PLMD::ves::CoeffsBase::sameShape(const CoeffsBase &) const | PLMD::ves::CoeffsBase | protected |
scaleAllValues(const double) | PLMD::ves::CoeffsMatrix | |
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::CoeffsMatrix | |
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::CoeffsMatrix | inline |
setupMatrix() | PLMD::ves::CoeffsMatrix | private |
setValue(const size_t, const size_t, const double) | PLMD::ves::CoeffsMatrix | |
setValue(const std::vector< unsigned int > &, const std::vector< unsigned int > &, const double) | PLMD::ves::CoeffsMatrix | |
setValues(const double) | PLMD::ves::CoeffsMatrix | |
setValues(const std::vector< double > &) | PLMD::ves::CoeffsMatrix | |
setValues(const CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | |
shapeOfIndices() const | PLMD::ves::CoeffsBase | inline |
shapeOfIndices(const unsigned int dim_index) const | PLMD::ves::CoeffsBase | inline |
size_ | PLMD::ves::CoeffsMatrix | private |
subtractFromValues(const double) | PLMD::ves::CoeffsMatrix | |
subtractFromValues(const std::vector< double > &) | PLMD::ves::CoeffsMatrix | |
subtractFromValues(const CoeffsMatrix &) | PLMD::ves::CoeffsMatrix | |
sumCommMPI() | PLMD::ves::CoeffsMatrix | |
sumCommMPI(Communicator &) | PLMD::ves::CoeffsMatrix | |
sumMultiSimCommMPI(Communicator &) | PLMD::ves::CoeffsMatrix | |
time_md | PLMD::ves::CoeffsBase | private |
turnOffExponentiallyDecayingAveraging() | PLMD::ves::CoeffsMatrix | inline |
turnOffIterationCounter() | PLMD::ves::CoeffsBase | inline |
turnOnIterationCounter() | PLMD::ves::CoeffsBase | inline |
vesbias_pntr_ | PLMD::ves::CoeffsBase | private |
writeCoeffsInfoToFile(OFile &) const | PLMD::ves::CoeffsBase | |
writeDataDiagonalToFile(OFile &) | PLMD::ves::CoeffsMatrix | private |
writeDataFullToFile(OFile &) | PLMD::ves::CoeffsMatrix | private |
writeDataToFile(OFile &) | PLMD::ves::CoeffsMatrix | private |
writeHeaderToFile(OFile &) | PLMD::ves::CoeffsMatrix | private |
writeIterationCounterAndTimeToFile(OFile &) const | PLMD::ves::CoeffsBase | protected |
writeMatrixInfoToFile(OFile &) | PLMD::ves::CoeffsMatrix | private |
writeTimeInfoToFile(OFile &, const double) const | PLMD::ves::CoeffsBase | |
writeToFile(OFile &) | PLMD::ves::CoeffsMatrix | |
writeToFile(const std::string &, const bool append_file=false, Action *action_pntr=NULL) | PLMD::ves::CoeffsMatrix | |
~CoeffsBase() | PLMD::ves::CoeffsBase | |
~CoeffsMatrix() | PLMD::ves::CoeffsMatrix | |