RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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This is the complete list of members for PropertyEnergyHistogram, including all inherited members.
addSample(std::size_t blockIndex, std::size_t currentCycle, double4 energy, const double &weight) (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | |
averagedProbabilityHistogram(std::size_t blockIndex) const (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | |
averagedProbabilityHistogram() const (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | |
averageProbabilityHistogram() const (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | |
bookKeepingEnergyHistogram (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | |
numberOfBins (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | |
numberOfBlocks (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | |
numberOfCounts (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | |
operator<< (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | friend |
operator>> (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | friend |
printSettings() const (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | |
PropertyEnergyHistogram() (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | inline |
PropertyEnergyHistogram(std::size_t numberOfBlocks, std::size_t numberOfBins, std::pair< double, double > range, std::size_t sampleEvery, std::size_t writeEvery) (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | inline |
range (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | |
sampleEvery (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | |
totalNumberOfCounts (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | |
versionNumber (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | |
writeEvery (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram | |
writeOutput(std::size_t systemId, std::size_t currentCycle) (defined in PropertyEnergyHistogram) | PropertyEnergyHistogram |