Simpatico  v1.10
Classes
MC Analyzers

Detailed Description

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...