RASPA3 3.0.28
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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PropertyGibbsWidom Member List

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

addWidomSample(std::size_t blockIndex, double RosenbluthValue, std::size_t N, double V, double weight) (defined in PropertyGibbsWidom)PropertyGibbsWidominline
averagedChemicalPotential(double beta) const (defined in PropertyGibbsWidom)PropertyGibbsWidominline
averagedChemicalPotential(std::size_t blockIndex, double beta) const (defined in PropertyGibbsWidom)PropertyGibbsWidominline
averagedFugacity(double beta) const (defined in PropertyGibbsWidom)PropertyGibbsWidominline
averagedFugacity(std::size_t blockIndex, double beta) const (defined in PropertyGibbsWidom)PropertyGibbsWidominline
averagedRosenbluthWeight() const (defined in PropertyGibbsWidom)PropertyGibbsWidominline
averagedRosenbluthWeight(std::size_t blockIndex) const (defined in PropertyGibbsWidom)PropertyGibbsWidominline
bookKeepingFugacity (defined in PropertyGibbsWidom)PropertyGibbsWidom
bookKeepingRosenbluthWeight (defined in PropertyGibbsWidom)PropertyGibbsWidom
chemicalPotentialResult(double beta) const (defined in PropertyGibbsWidom)PropertyGibbsWidominline
fugacityResult(double beta) const (defined in PropertyGibbsWidom)PropertyGibbsWidominline
numberOfBlocks (defined in PropertyGibbsWidom)PropertyGibbsWidom
operator<< (defined in PropertyGibbsWidom)PropertyGibbsWidomfriend
operator>> (defined in PropertyGibbsWidom)PropertyGibbsWidomfriend
PropertyGibbsWidom() (defined in PropertyGibbsWidom)PropertyGibbsWidom
PropertyGibbsWidom(std::size_t numberOfBlocks) (defined in PropertyGibbsWidom)PropertyGibbsWidominline
result() const (defined in PropertyGibbsWidom)PropertyGibbsWidominline
versionNumber (defined in PropertyGibbsWidom)PropertyGibbsWidom
writeAveragesChemicalPotentialStatistics(double beta, std::optional< double > imposedChemicalPotential, std::optional< double > imposedFugacity) const (defined in PropertyGibbsWidom)PropertyGibbsWidom
writeAveragesRosenbluthWeightStatistics(double temperature, double volume, std::optional< double > frameworkMass, std::optional< int3 > number_of_unit_cells) const (defined in PropertyGibbsWidom)PropertyGibbsWidom