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RASPA3 3.0.13
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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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) | PropertyEnergy | inline |
| averagedEnergy(std::size_t blockIndex) const (defined in PropertyEnergy) | PropertyEnergy | inline |
| averagedEnergy() const (defined in PropertyEnergy) | PropertyEnergy | inline |
| averageEnergy() const (defined in PropertyEnergy) | PropertyEnergy | inline |
| blockEnergy() const (defined in PropertyEnergy) | PropertyEnergy | inline |
| 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) | PropertyEnergy | friend |
| operator>> (defined in PropertyEnergy) | PropertyEnergy | friend |
| PropertyEnergy() (defined in PropertyEnergy) | PropertyEnergy | inline |
| PropertyEnergy(std::size_t numberOfBlocks, std::size_t numberOfExternalFields, std::size_t numberOfFrameworks, std::size_t numberOfComponents) (defined in PropertyEnergy) | PropertyEnergy | inline |
| resize(std::size_t newNumberOfFrameworks, std::size_t newNumberOfComponents) (defined in PropertyEnergy) | PropertyEnergy | inline |
| versionNumber (defined in PropertyEnergy) | PropertyEnergy | |
| writeAveragesStatistics(bool externalField, std::optional< Framework > &framework, std::vector< Component > &components) const (defined in PropertyEnergy) | PropertyEnergy |