PLMD::ves::CoeffsMatrix Member List

This is the complete list of members for PLMD::ves::CoeffsMatrix, including all inherited members.

action_pntr_PLMD::ves::CoeffsBaseprivate
activate()PLMD::ves::CoeffsBaseinline
activePLMD::ves::CoeffsBaseprivate
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::CoeffsBaseprivate
averageMatrices(CoeffsMatrix &, CoeffsMatrix &)PLMD::ves::CoeffsMatrixstatic
averageMatrices(const std::vector< CoeffsMatrix * > &)PLMD::ves::CoeffsMatrixstatic
averaging_counterPLMD::ves::CoeffsMatrixprivate
averaging_exp_decay_PLMD::ves::CoeffsMatrixprivate
basisf_PLMD::ves::CoeffsBaseprivate
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::CoeffsBaseprivate
coeffs_type_PLMD::ves::CoeffsBaseprivate
CoeffsBase()PLMD::ves::CoeffsBaseexplicit
CoeffsBase(const std::string &, const std::vector< std::string > &, const std::vector< unsigned int > &, const bool use_iteration_counter=false)PLMD::ves::CoeffsBaseexplicit
CoeffsBase(const std::string &, const std::vector< Value * > &, std::vector< BasisFunctions * > &, const bool use_iteration_counter=false)PLMD::ves::CoeffsBaseexplicit
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::CoeffsBaseexplicit
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::CoeffsMatrixexplicit
CoeffsMatrix(const std::string &, std::vector< Value * > &, std::vector< BasisFunctions * > &, Communicator &cc, const bool diagonal=true, const bool use_iteration_counter=false)PLMD::ves::CoeffsMatrixexplicit
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::CoeffsMatrixexplicit
CoeffsMatrix(const std::string &, CoeffsVector *, Communicator &cc, const bool diagonal=true)PLMD::ves::CoeffsMatrixexplicit
CoeffsType enum namePLMD::ves::CoeffsBaseprivate
dataPLMD::ves::CoeffsMatrixprivate
data_label_PLMD::ves::CoeffsBaseprivate
deactivate()PLMD::ves::CoeffsBaseinline
diagonal_PLMD::ves::CoeffsMatrixprivate
dimension_labels_PLMD::ves::CoeffsBaseprivate
field_iteration_PLMD::ves::CoeffsBaseprivate
field_ncoeffs_total_PLMD::ves::CoeffsBaseprivate
field_ndimensions_PLMD::ves::CoeffsBaseprivate
field_shape_prefix_PLMD::ves::CoeffsBaseprivate
field_time_PLMD::ves::CoeffsBaseprivate
field_type_PLMD::ves::CoeffsBaseprivate
Generic enum valuePLMD::ves::CoeffsBaseprivate
getAllCoeffsDescriptions() constPLMD::ves::CoeffsBaseinline
getAllDimensionLabels() constPLMD::ves::CoeffsBaseinline
getCoeffDescription(const size_t index) constPLMD::ves::CoeffsBaseinline
getCoeffDescription(const std::vector< unsigned int > &) constPLMD::ves::CoeffsBaseinline
getCoeffsInfoFromFile(IFile &, const bool ignore_coeffs_info=false)PLMD::ves::CoeffsBase
getCommunicator() constPLMD::ves::CoeffsMatrixinline
getDataAsVector() constPLMD::ves::CoeffsMatrixinline
getDataLabel() constPLMD::ves::CoeffsBaseinline
getDimensionLabel(const unsigned int) constPLMD::ves::CoeffsBaseinline
getIndex(const std::vector< unsigned int > &) constPLMD::ves::CoeffsBaseinline
getIndices(const size_t) constPLMD::ves::CoeffsBaseinline
getIterationCounter() constPLMD::ves::CoeffsBaseinline
getIterationCounterAndTimeFromFile(IFile &)PLMD::ves::CoeffsBaseprotected
getLabel() constPLMD::ves::CoeffsBaseinline
getMatrixIndex(const size_t, const size_t) constPLMD::ves::CoeffsMatrix
getMaxValue() constPLMD::ves::CoeffsMatrix
getMinValue() constPLMD::ves::CoeffsMatrix
getOutputFmt() constPLMD::ves::CoeffsBaseinline
getPntrToAction() constPLMD::ves::CoeffsBaseinline
getPntrToVesBias() constPLMD::ves::CoeffsBaseinline
getSize() constPLMD::ves::CoeffsMatrix
getTimeValue() constPLMD::ves::CoeffsBaseinline
getType() constPLMD::ves::CoeffsBaseinline
getTypeStr() constPLMD::ves::CoeffsBase
getValue(const size_t, const size_t) constPLMD::ves::CoeffsMatrix
getValue(const std::vector< unsigned int > &, const std::vector< unsigned int > &) constPLMD::ves::CoeffsMatrix
indices_shape_PLMD::ves::CoeffsBaseprivate
indicesExist(const std::vector< unsigned int > &) constPLMD::ves::CoeffsBase
initializeIndices(const std::vector< unsigned int > &, const std::vector< std::string > &)PLMD::ves::CoeffsBaseprivate
isActive() constPLMD::ves::CoeffsBaseinline
isDiagonal() constPLMD::ves::CoeffsMatrix
isGenericCoeffs() constPLMD::ves::CoeffsBaseinline
isIterationCounterActive() constPLMD::ves::CoeffsBaseinline
isLinearBasisSetCoeffs() constPLMD::ves::CoeffsBaseinline
isMultiLinearBasisSetCoeffs() constPLMD::ves::CoeffsBaseinline
isSymmetric() constPLMD::ves::CoeffsMatrix
iteration_and_time_active_PLMD::ves::CoeffsBaseprivate
iteration_optPLMD::ves::CoeffsBaseprivate
label_PLMD::ves::CoeffsBaseprivate
LinearBasisSet enum valuePLMD::ves::CoeffsBaseprivate
linkAction(Action *)PLMD::ves::CoeffsBase
linkVesBias(VesBias *)PLMD::ves::CoeffsBase
multicoeffs_PLMD::ves::CoeffsBaseprivate
multicoeffs_args_PLMD::ves::CoeffsBaseprivate
multicoeffs_basisf_PLMD::ves::CoeffsBaseprivate
MultiCoeffs_LinearBasisSet enum valuePLMD::ves::CoeffsBaseprivate
mycommPLMD::ves::CoeffsMatrixprivate
ncoeffs_PLMD::ves::CoeffsBaseprivate
ncolumns_PLMD::ves::CoeffsMatrixprivate
ndimensions_PLMD::ves::CoeffsBaseprivate
nrows_PLMD::ves::CoeffsMatrixprivate
numberOfCoeffs() constPLMD::ves::CoeffsBaseinline
numberOfDimensions() constPLMD::ves::CoeffsBaseinline
operator()(const size_t, const size_t)PLMD::ves::CoeffsMatrix
operator()(const size_t, const size_t) constPLMD::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 > &) constPLMD::ves::CoeffsMatrix
operator*(const CoeffsMatrix &, const CoeffsVector &)PLMD::ves::CoeffsMatrixfriend
operator*(const double, const CoeffsMatrix &)PLMD::ves::CoeffsMatrixfriend
operator*(const CoeffsMatrix &, const double)PLMD::ves::CoeffsMatrixfriend
operator*(const CoeffsMatrix &) constPLMD::ves::CoeffsMatrix
operator*=(const double)PLMD::ves::CoeffsMatrix
operator*=(const CoeffsMatrix &)PLMD::ves::CoeffsMatrix
operator+() constPLMD::ves::CoeffsMatrix
operator+(const double, const CoeffsMatrix &)PLMD::ves::CoeffsMatrixfriend
operator+(const CoeffsMatrix &, const double)PLMD::ves::CoeffsMatrixfriend
operator+(const std::vector< double > &, const CoeffsMatrix &)PLMD::ves::CoeffsMatrixfriend
operator+(const CoeffsMatrix &, const std::vector< double > &)PLMD::ves::CoeffsMatrixfriend
operator+(const CoeffsMatrix &) constPLMD::ves::CoeffsMatrix
operator+=(const double)PLMD::ves::CoeffsMatrix
operator+=(const std::vector< double > &)PLMD::ves::CoeffsMatrix
operator+=(const CoeffsMatrix &)PLMD::ves::CoeffsMatrix
operator-() constPLMD::ves::CoeffsMatrix
operator-(const double, const CoeffsMatrix &)PLMD::ves::CoeffsMatrixfriend
operator-(const CoeffsMatrix &, const double)PLMD::ves::CoeffsMatrixfriend
operator-(const std::vector< double > &, const CoeffsMatrix &)PLMD::ves::CoeffsMatrixfriend
operator-(const CoeffsMatrix &, const std::vector< double > &)PLMD::ves::CoeffsMatrixfriend
operator-(const CoeffsMatrix &) constPLMD::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::CoeffsMatrixprivate
operator=(const double)PLMD::ves::CoeffsMatrix
operator=(const std::vector< double > &)PLMD::ves::CoeffsMatrix
output_fmt_PLMD::ves::CoeffsBaseprivate
randomizeValuesGaussian(int)PLMD::ves::CoeffsMatrix
reinitializeIndices(const std::vector< unsigned int > &)PLMD::ves::CoeffsBaseprivate
replaceLabelString(const std::string &, const std::string &)PLMD::ves::CoeffsBase
resetAveraging()PLMD::ves::CoeffsMatrix
resetAveragingCounter()PLMD::ves::CoeffsMatrixinline
resetOutputFmt()PLMD::ves::CoeffsBaseinline
resizeIndices(const std::vector< unsigned int > &)PLMD::ves::CoeffsBaseprotected
resizeIndices(std::vector< BasisFunctions * > &)PLMD::ves::CoeffsBaseprotected
sameShape(CoeffsVector &) constPLMD::ves::CoeffsMatrix
sameShape(CoeffsMatrix &) constPLMD::ves::CoeffsMatrix
sameShape(CoeffsMatrix &, CoeffsMatrix &)PLMD::ves::CoeffsMatrixstatic
sameShape(CoeffsVector &, CoeffsMatrix &)PLMD::ves::CoeffsMatrixstatic
sameShape(CoeffsMatrix &, CoeffsVector &)PLMD::ves::CoeffsMatrixstatic
PLMD::ves::CoeffsBase::sameShape(const CoeffsBase &) constPLMD::ves::CoeffsBaseprotected
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::CoeffsBaseinline
setIterationCounterAndTime(const unsigned int, const double)PLMD::ves::CoeffsBaseinline
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::CoeffsBaseinline
setTime(const double)PLMD::ves::CoeffsBaseinline
setType(const CoeffsType coeffs_type)PLMD::ves::CoeffsBase
setupBasisFunctionsInfo()PLMD::ves::CoeffsBaseprotected
setupExponentiallyDecayingAveraging(const unsigned int averaging_exp_decay_in)PLMD::ves::CoeffsMatrixinline
setupMatrix()PLMD::ves::CoeffsMatrixprivate
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() constPLMD::ves::CoeffsBaseinline
shapeOfIndices(const unsigned int dim_index) constPLMD::ves::CoeffsBaseinline
size_PLMD::ves::CoeffsMatrixprivate
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_mdPLMD::ves::CoeffsBaseprivate
turnOffExponentiallyDecayingAveraging()PLMD::ves::CoeffsMatrixinline
turnOffIterationCounter()PLMD::ves::CoeffsBaseinline
turnOnIterationCounter()PLMD::ves::CoeffsBaseinline
vesbias_pntr_PLMD::ves::CoeffsBaseprivate
writeCoeffsInfoToFile(OFile &) constPLMD::ves::CoeffsBase
writeDataDiagonalToFile(OFile &)PLMD::ves::CoeffsMatrixprivate
writeDataFullToFile(OFile &)PLMD::ves::CoeffsMatrixprivate
writeDataToFile(OFile &)PLMD::ves::CoeffsMatrixprivate
writeHeaderToFile(OFile &)PLMD::ves::CoeffsMatrixprivate
writeIterationCounterAndTimeToFile(OFile &) constPLMD::ves::CoeffsBaseprotected
writeMatrixInfoToFile(OFile &)PLMD::ves::CoeffsMatrixprivate
writeTimeInfoToFile(OFile &, const double) constPLMD::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