McMd Analyzers

Lists of analyzers available for use with either mcSim (Monte Carlo) or mdSim (molecular dynamics) simulations are given below. Separate lists are given for analyzers that can be used with either mcSim or mdSim simulations and of analyzers that work with only one of these programs.

MC/MD Analyzers

The following standard analyzers can be used in either Monte Carlo (MC) with mcSim or molecular dynamics (MD) simulations with mdSim:

• AtomMSD
• BlockRadiusGyration
• BondLengthDist
• BoundaryAverage
• ClusterHistogram
• ComMSD
• CompositionProfile
• ConfigWriter
• IntraPairAutoCorr
• IntraStructureFactor
• RadiusGyration
• RDF
• StructureFactor
• StructureFactorGrid
• StructureFactorP
• StructureFactorPGrid
• VanHove

MC Analyzers

The following analyzers can only be used in Monte Carlo (MC) simulations:

• McBondEnergyAverage
• McEnergyAnalyzer
• McEnergyAverage
• McEnergyOutput
• McExternalEnergyAverage
• McIntraBondStressAutoCorr
• McIntraBondTensorAutoCorr
• McPairEnergyAverage
• McPressureAverage
• McStressAutoCorrelation
• McVirialStressTensorAverage
• McNVTChemicalPotential
• McMuExchange

MD Analyzers

The following analyzers can only be used in MD simulations:

• MdEnergyAnalyzer
• MdEnergyOutput
• MdIntraBondStressAutoCorr
• MdIntraBondTensorAutoCorr
• MdKineticEnergyAverage
• MdPairEnergyCoefficients
• MdPotentialEnergyAverage
• MdPressureAverage
• MdVirialStressTensorAverage
• MdStressAutoCorr

Parameter file blocks for analyzer classes appear as subblocks of a AnalyzerManager block.

See also

Analyzers (developer documentation)