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PLMD::ves Namespace Reference

Classes

class  BasisFunctions
class  BF_Chebyshev
 Provides the keyword BF_CHEBYSHEV . More...
class  BF_Combined
 Provides the keyword BF_COMBINED . More...
class  BF_Cosine
 Provides the keyword BF_COSINE . More...
class  BF_CubicBsplines
 Provides the keyword BF_CUBIC_B_SPLINES . More...
class  BF_Custom
 Provides the keyword BF_CUSTOM . More...
class  BF_Fourier
 Provides the keyword BF_FOURIER . More...
class  BF_Gaussians
 Provides the keyword BF_GAUSSIANS . More...
class  BF_Legendre
 Provides the keyword BF_LEGENDRE . More...
class  BF_Powers
 Provides the keyword BF_POWERS . More...
class  BF_Sine
 Provides the keyword BF_SINE . More...
class  BF_Wavelets
 Provides the keyword BF_WAVELETS . More...
class  CoeffsBase
class  CoeffsMatrix
class  CoeffsVector
class  FermiSwitchingFunction
 Small class to compute fermi switching function. More...
class  FesWeight
class  GridIntegrationWeights
class  GridLinearInterpolation
class  LinearBasisSetExpansion
class  MarginalWeight
class  MD_LinearExpansionPES
class  Opt_Adam
 Provides the keyword OPT_ADAM . More...
class  Opt_BachAveragedSGD
 Provides the keyword OPT_AVERAGED_SGD . More...
class  Opt_Dummy
 Provides the keyword OPT_DUMMY . More...
class  Opt_RobbinsMonroSGD
 Provides the keyword OPT_ROBBINS_MONRO_SGD . More...
class  Optimizer
class  OutputBasisFunctions
 Provides the keyword VES_OUTPUT_BASISFUNCTIONS . More...
class  OutputFesBias
 Provides the keyword VES_OUTPUT_FES . More...
class  OutputTargetDistribution
 Provides the keyword VES_OUTPUT_TARGET_DISTRIBUTION . More...
class  TargetDistModifer
class  TargetDistribution
class  TD_Chi
 Provides the keyword TD_CHI . More...
class  TD_ChiSquared
 Provides the keyword TD_CHISQUARED . More...
class  TD_Custom
 Provides the keyword TD_CUSTOM . More...
class  TD_Exponential
 Provides the keyword TD_EXPONENTIAL . More...
class  TD_ExponentiallyModifiedGaussian
 Provides the keyword TD_EXPONENTIALLY_MODIFIED_GAUSSIAN . More...
class  TD_Gaussian
 Provides the keyword TD_GAUSSIAN . More...
class  TD_GeneralizedExtremeValue
 Provides the keyword TD_GENERALIZED_EXTREME_VALUE . More...
class  TD_GeneralizedNormal
 Provides the keyword TD_GENERALIZED_NORMAL . More...
class  TD_Grid
 Provides the keyword TD_GRID . More...
class  TD_LinearCombination
 Provides the keyword TD_LINEAR_COMBINATION . More...
class  TD_Multicanonical
 Provides the keyword TD_MULTICANONICAL . More...
class  TD_MultithermalMultibaric
 Provides the keyword TD_MULTITHERMAL_MULTIBARIC . More...
class  TD_ProductCombination
 Provides the keyword TD_PRODUCT_COMBINATION . More...
class  TD_ProductDistribution
 Provides the keyword TD_PRODUCT_DISTRIBUTION . More...
class  TD_Uniform
 Provides the keyword TD_UNIFORM . More...
class  TD_VonMises
 Provides the keyword TD_VONMISES . More...
class  TD_WellTempered
 Provides the keyword TD_WELLTEMPERED . More...
class  VesBias
 Abstract base class for implementing biases the extents the normal Bias.h class to include functions related to the variational approach. More...
class  VesDeltaF
 Provides the keyword VES_DELTA_F . More...
class  VesLinearExpansion
 Provides the keyword VES_LINEAR_EXPANSION . More...
class  VesTools
class  WaveletGrid
class  WellTemperedModifer

Functions

unsigned int log2 (unsigned value)
CoeffsVector operator* (const CoeffsMatrix &coeffs_matrix, const CoeffsVector &coeffs_vector)
CoeffsMatrix operator* (const CoeffsMatrix &coeffsmatrix, const double scalef)
CoeffsVector operator* (const CoeffsVector &coeffsvector, const double scalef)
CoeffsVector operator* (const CoeffsVector &coeffsvector, const std::vector< double > &values)
CoeffsMatrix operator* (const double scalef, const CoeffsMatrix &coeffsmatrix)
CoeffsVector operator* (const double scalef, const CoeffsVector &coeffsvector)
CoeffsVector operator* (const std::vector< double > &values, const CoeffsVector &coeffsvector)
CoeffsMatrix operator+ (const CoeffsMatrix &coeffsmatrix, const double value)
CoeffsMatrix operator+ (const CoeffsMatrix &coeffsmatrix, const std::vector< double > &values)
CoeffsVector operator+ (const CoeffsVector &coeffsvector, const double value)
CoeffsVector operator+ (const CoeffsVector &coeffsvector, const std::vector< double > &values)
CoeffsMatrix operator+ (const double value, const CoeffsMatrix &coeffsmatrix)
CoeffsVector operator+ (const double value, const CoeffsVector &coeffsvector)
CoeffsMatrix operator+ (const std::vector< double > &values, const CoeffsMatrix &coeffsmatrix)
CoeffsVector operator+ (const std::vector< double > &values, const CoeffsVector &coeffsvector)
CoeffsMatrix operator- (const CoeffsMatrix &coeffsmatrix, const double value)
CoeffsMatrix operator- (const CoeffsMatrix &coeffsmatrix, const std::vector< double > &values)
CoeffsVector operator- (const CoeffsVector &coeffsvector, const double value)
CoeffsVector operator- (const CoeffsVector &coeffsvector, const std::vector< double > &values)
CoeffsMatrix operator- (const double value, const CoeffsMatrix &coeffsmatrix)
CoeffsVector operator- (const double value, const CoeffsVector &coeffsvector)
CoeffsMatrix operator- (const std::vector< double > &values, const CoeffsMatrix &coeffsmatrix)
CoeffsVector operator- (const std::vector< double > &values, const CoeffsVector &coeffsvector)

Function Documentation

◆ log2()

unsigned int PLMD::ves::log2 ( unsigned value)
inline

◆ operator*() [1/7]

CoeffsVector PLMD::ves::operator* ( const CoeffsMatrix & coeffs_matrix,
const CoeffsVector & coeffs_vector )

◆ operator*() [2/7]

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

◆ operator*() [3/7]

CoeffsVector PLMD::ves::operator* ( const CoeffsVector & coeffsvector,
const double scalef )

◆ operator*() [4/7]

CoeffsVector PLMD::ves::operator* ( const CoeffsVector & coeffsvector,
const std::vector< double > & values )

◆ operator*() [5/7]

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

◆ operator*() [6/7]

CoeffsVector PLMD::ves::operator* ( const double scalef,
const CoeffsVector & coeffsvector )

◆ operator*() [7/7]

CoeffsVector PLMD::ves::operator* ( const std::vector< double > & values,
const CoeffsVector & coeffsvector )

◆ operator+() [1/8]

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

◆ operator+() [2/8]

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

◆ operator+() [3/8]

CoeffsVector PLMD::ves::operator+ ( const CoeffsVector & coeffsvector,
const double value )

◆ operator+() [4/8]

CoeffsVector PLMD::ves::operator+ ( const CoeffsVector & coeffsvector,
const std::vector< double > & values )

◆ operator+() [5/8]

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

◆ operator+() [6/8]

CoeffsVector PLMD::ves::operator+ ( const double value,
const CoeffsVector & coeffsvector )

◆ operator+() [7/8]

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

◆ operator+() [8/8]

CoeffsVector PLMD::ves::operator+ ( const std::vector< double > & values,
const CoeffsVector & coeffsvector )

◆ operator-() [1/8]

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

◆ operator-() [2/8]

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

◆ operator-() [3/8]

CoeffsVector PLMD::ves::operator- ( const CoeffsVector & coeffsvector,
const double value )

◆ operator-() [4/8]

CoeffsVector PLMD::ves::operator- ( const CoeffsVector & coeffsvector,
const std::vector< double > & values )

◆ operator-() [5/8]

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

◆ operator-() [6/8]

CoeffsVector PLMD::ves::operator- ( const double value,
const CoeffsVector & coeffsvector )

◆ operator-() [7/8]

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

◆ operator-() [8/8]

CoeffsVector PLMD::ves::operator- ( const std::vector< double > & values,
const CoeffsVector & coeffsvector )