Collaboration diagram for PropertyGibbsWidom:

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Public Member Functions
	PropertyGibbsWidom (std::size_t numberOfBlocks)

std::string	writeAveragesRosenbluthWeightStatistics (double temperature, double volume, std::optional< double > frameworkMass, std::optional< int3 > number_of_unit_cells) const

std::string	writeAveragesChemicalPotentialStatistics (double beta, std::optional< double > imposedChemicalPotential, std::optional< double > imposedFugacity) const

void	addWidomSample (std::size_t blockIndex, double RosenbluthValue, std::size_t N, double V, double weight)

double	averagedRosenbluthWeight () const

double	averagedRosenbluthWeight (std::size_t blockIndex) const

std::pair< double, double >	result () const

WidomData	averagedChemicalPotential (double beta) const

WidomData	averagedChemicalPotential (std::size_t blockIndex, double beta) const

std::pair< WidomData, WidomData >	chemicalPotentialResult (double beta) const

double	averagedFugacity (double beta) const

double	averagedFugacity (std::size_t blockIndex, double beta) const

std::pair< double, double >	fugacityResult (double beta) const

Public Attributes
std::uint64_t	versionNumber {1}

std::size_t	numberOfBlocks

std::vector< std::pair< double, double > >	bookKeepingRosenbluthWeight

std::vector< std::pair< WidomData, double > >	bookKeepingFugacity

Friends
Archive< std::ofstream > &	operator<< (Archive< std::ofstream > &archive, const PropertyGibbsWidom &w)

Archive< std::ifstream > &	operator>> (Archive< std::ifstream > &archive, PropertyGibbsWidom &w)

The documentation for this struct was generated from the following file:

Public Member Functions

Public Attributes