Simpatico
v1.10
|
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... | |