RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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PropertyLambdaProbabilityHistogram Member List

This is the complete list of members for PropertyLambdaProbabilityHistogram, including all inherited members.

averagedDensity(std::size_t blockIndex) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averagedDensity() const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averagedDUdlambda(std::size_t blockIndex) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averagedDUdlambda() const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averageDensity() const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averagedExcessChemicalPotential(std::size_t blockIndex, double beta) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averagedExcessChemicalPotential(double beta) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averagedExcessChemicalPotentialDUdlambda(std::size_t blockIndex) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averagedExcessChemicalPotentialDUdlambda() const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averagedIdealGasChemicalPotential(std::size_t blockIndex, double beta) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averagedIdealGasChemicalPotential(double beta) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averagedLandauFreeEnergyHistogram(std::size_t blockIndex, double beta) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averagedLandauFreeEnergyHistogram(double beta) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averagedProbabilityHistogram(std::size_t blockIndex) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averagedProbabilityHistogram() const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averageDuDlambda() const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averageExcessChemicalPotential(double beta) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averageExcessChemicalPotentialDUdlambda() const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averageFugacity(double beta, double bias) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averageFugacityDUdlambda(double beta) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averageIdealGasChemicalPotential(double beta) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averageLandauFreeEnergyHistogram(double beta) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averageProbabilityHistogram() const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averageTotalChemicalPotential(double beta, double bias) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
averageTotalChemicalPotential(double beta) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
biasFactor (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
bookKeepingDensity (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
bookKeepingDUdlambda (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
bookKeepingLambda (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
clear() (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
computeDUdlambda (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
currentBin (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
delta (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
histogram (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
jsonAveragesStatistics(double beta, std::optional< double > imposedChemicalPotential, std::optional< double > imposedFugacity) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
jsonDUdLambdaStatistics(double beta, std::optional< double > imposedChemicalPotential, std::optional< double > imposedFugacity) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
jump_bins (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
lambdaValue() const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
normalize(double normalizationFactor) (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
normalizedAverageProbabilityHistogram() (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
numberOfBlocks (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
numberOfSamplePoints (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
occupancy() const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
occupancyCount (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
occupancyTotal (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
operator<< (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogramfriend
operator==(PropertyLambdaProbabilityHistogram const &) const =default (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
operator>> (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogramfriend
PropertyLambdaProbabilityHistogram() (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
PropertyLambdaProbabilityHistogram(std::size_t numberOfBlocks, std::size_t numberOfSamplePoints) (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
readBiasingFile(std::filesystem::path path) (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
sampleHistogram(std::size_t blockIndex, double density, double dUdlambda, bool containsTheFractionalMolecule, double w) (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
sampleOccupancy(bool containsTheFractionalMolecule) (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
selectNewBin(RandomNumber &random, double scale) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
setCurrentBin(std::size_t index) (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
updateHistogram() (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
versionNumber (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
WangLandauIteration(PropertyLambdaProbabilityHistogram::WangLandauPhase phase, bool containsTheFractionalMolecule, double value=1.0) (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
WangLandauPhase enum name (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
WangLandauScalingFactor (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
weight() const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistograminline
writeAveragesStatistics(double beta, std::optional< double > imposedChemicalPotential, std::optional< double > imposedFugacity) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
writeBiasingFile(std::filesystem::path path) (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram
writeDUdLambdaStatistics(double beta, std::optional< double > imposedChemicalPotential, std::optional< double > imposedFugacity) const (defined in PropertyLambdaProbabilityHistogram)PropertyLambdaProbabilityHistogram