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Simpatico
v1.10
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Analyzers for Monte Carlo (MC) simulations with mcSim.
Classes | |
| class | McMd::McAnalyzerFactory |
| AnalyzerFactory for an McSimulation. More... | |
| class | McMd::McBondEnergyAverage |
| McBondEnergyAverage averages of bond potential energy. More... | |
| class | McMd::McEnergyAverage |
| McEnergyAverage averages of total potential energy. More... | |
| class | McMd::McEnergyOutput |
| Analyzer to output total potential energy. More... | |
| class | McMd::McExternalEnergyAverage |
| McExternalEnergyAverage averages of total external energy. More... | |
| class | McMd::McIntraBondStressAutoCorr |
| Autocorrelation for bond stress of a molecule. More... | |
| class | McMd::McIntraBondTensorAutoCorr |
| Autocorrelation for bond stress of a molecule. More... | |
| class | McMd::McMuExchange |
| Exchange chemical potential for semigrand ensemble. More... | |
| class | McMd::McNVTChemicalPotential |
| McNVTChemicalPotential uses configuration bias algorithm to calculate the chemical potential of a linear chain. More... | |
| class | McMd::McPairEnergyAverage |
| McPairEnergyAverage averages of total potential energy. More... | |
| class | McMd::McVirialStressTensorAverage |
| Periodically write (tensor) StressTensor to file. More... | |
| class | McMd::SemiGrandDistribution |
| Calculate distribution of type indices for mutable species. More... | |
| class | McMd::TypeDistribution |
| Calculate distribution of type indices for mutable species. More... | |
| class | McMd::McAnalyzerManager |
| Manager for Analyzer objects in an McSimulation. More... | |
1.8.11