RASPA3 3.0.13
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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PropertyEnergy Member List

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

addSample(std::size_t blockIndex, const EnergyStatus &energyStatus, const double &weight) (defined in PropertyEnergy)PropertyEnergyinline
averagedEnergy(std::size_t blockIndex) const (defined in PropertyEnergy)PropertyEnergyinline
averagedEnergy() const (defined in PropertyEnergy)PropertyEnergyinline
averageEnergy() const (defined in PropertyEnergy)PropertyEnergyinline
blockEnergy() const (defined in PropertyEnergy)PropertyEnergyinline
bookKeepingEnergyStatus (defined in PropertyEnergy)PropertyEnergy
jsonAveragesStatistics(bool externalField, std::optional< Framework > &framework, std::vector< Component > &components) const (defined in PropertyEnergy)PropertyEnergy
numberOfBlocks (defined in PropertyEnergy)PropertyEnergy
numberOfComponents (defined in PropertyEnergy)PropertyEnergy
numberOfExternalFields (defined in PropertyEnergy)PropertyEnergy
numberOfFrameworks (defined in PropertyEnergy)PropertyEnergy
operator<< (defined in PropertyEnergy)PropertyEnergyfriend
operator>> (defined in PropertyEnergy)PropertyEnergyfriend
PropertyEnergy() (defined in PropertyEnergy)PropertyEnergyinline
PropertyEnergy(std::size_t numberOfBlocks, std::size_t numberOfExternalFields, std::size_t numberOfFrameworks, std::size_t numberOfComponents) (defined in PropertyEnergy)PropertyEnergyinline
resize(std::size_t newNumberOfFrameworks, std::size_t newNumberOfComponents) (defined in PropertyEnergy)PropertyEnergyinline
versionNumber (defined in PropertyEnergy)PropertyEnergy
writeAveragesStatistics(bool externalField, std::optional< Framework > &framework, std::vector< Component > &components) const (defined in PropertyEnergy)PropertyEnergy