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| PropertyNumberOfMoleculesHistogram (std::size_t numberOfBlocks, std::pair< std::size_t, std::size_t > range, std::size_t size, std::size_t sampleEvery, std::size_t writeEvery) |
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void | addSample (std::size_t blockIndex, std::size_t currentCycle, std::vector< std::size_t > numberOfIntegerMoleculesPerComponent, const double &weight) |
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std::vector< std::vector< double > > | averagedProbabilityHistogram (std::size_t blockIndex) const |
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std::vector< std::vector< double > > | averagedProbabilityHistogram () const |
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std::pair< std::vector< std::vector< double > >, std::vector< std::vector< double > > > | averageProbabilityHistogram () const |
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void | writeOutput (std::size_t systemId, std::vector< Component > &components, std::size_t currentCycle) |
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std::uint64_t | versionNumber {1} |
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std::size_t | numberOfBlocks |
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std::size_t | numberOfBins |
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std::pair< std::size_t, std::size_t > | range |
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std::size_t | size |
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std::size_t | sampleEvery |
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std::size_t | writeEvery |
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std::vector< std::vector< std::vector< double > > > | bookKeepingEnergyHistogram |
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std::vector< double > | numberOfCounts |
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double | totalNumberOfCounts {0.0} |
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The documentation for this struct was generated from the following file:
- src/raspakit/properties/number_of_molecules_histogram.ixx