averagedDensity(std::size_t blockIndex) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averagedDensity() const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averagedDUdlambda(std::size_t blockIndex) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averagedDUdlambda() const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averageDensity() const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averagedExcessChemicalPotential(std::size_t blockIndex, double beta) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averagedExcessChemicalPotential(double beta) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averagedExcessChemicalPotentialDUdlambda(std::size_t blockIndex) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averagedExcessChemicalPotentialDUdlambda() const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averagedIdealGasChemicalPotential(std::size_t blockIndex, double beta) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averagedIdealGasChemicalPotential(double beta) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averagedLandauFreeEnergyHistogram(std::size_t blockIndex, double beta) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averagedLandauFreeEnergyHistogram(double beta) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averagedProbabilityHistogram(std::size_t blockIndex) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averagedProbabilityHistogram() const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averageDuDlambda() const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averageExcessChemicalPotential(double beta) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averageExcessChemicalPotentialDUdlambda() const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averageFugacity(double beta, double bias) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averageFugacityDUdlambda(double beta) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averageIdealGasChemicalPotential(double beta) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averageLandauFreeEnergyHistogram(double beta) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averageProbabilityHistogram() const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averageTotalChemicalPotential(double beta, double bias) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
averageTotalChemicalPotential(double beta) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
biasFactor (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | |
bookKeepingDensity (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | |
bookKeepingDUdlambda (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | |
bookKeepingLambda (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | |
clear() (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
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) | PropertyLambdaProbabilityHistogram | inline |
normalize(double normalizationFactor) (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
normalizedAverageProbabilityHistogram() (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | |
numberOfBlocks (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | |
numberOfSamplePoints (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | |
occupancy() const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
occupancyCount (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | |
occupancyTotal (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | |
operator<< (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | friend |
operator==(PropertyLambdaProbabilityHistogram const &) const =default (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | |
operator>> (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | friend |
PropertyLambdaProbabilityHistogram() (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
PropertyLambdaProbabilityHistogram(std::size_t numberOfBlocks, std::size_t numberOfSamplePoints) (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
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) | PropertyLambdaProbabilityHistogram | inline |
sampleOccupancy(bool containsTheFractionalMolecule) (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
selectNewBin(RandomNumber &random, double scale) const (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
setCurrentBin(std::size_t index) (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
updateHistogram() (defined in PropertyLambdaProbabilityHistogram) | PropertyLambdaProbabilityHistogram | inline |
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) | PropertyLambdaProbabilityHistogram | inline |
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 | |