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

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

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