Package etomica.AlkaneEH

Class CH4NVT

java.lang.Object

etomica.simulation.Simulation

etomica.AlkaneEH.CH4NVT

public class CH4NVT
extends Simulation

CH4(TraPPE-EH) Canonical ensemble Monte Carlo simulation (NVT)

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	CH4NVT.Param

Field Summary

Fields

Modifier and Type	Field	Description
protected Box	box
protected IntegratorMC	integrator
protected MCMoveMolecule	moveMolecule
protected PotentialMaster	potentialMaster
protected MCMoveRotateMolecule3D	rotateMolecule
protected SpeciesGeneral	speciesCH4

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
CH4NVT(Space space, int numberMolecules, double boxSize, double temperature, double truncation)

Method Summary

Modifier and Type	Method	Description
static void	main(java.lang.String[] args)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from class etomica.simulation.Simulation

addBox, addSpecies, box, getBox, getBoxCount, getBoxes, getController, getEventManager, getIntegrator, getRandom, getRandomSeeds, getSpace, getSpecies, getSpeciesCount, getSpeciesList, makeBox, makeBox, makeUniqueElementSymbol, removeBox, setRandom, species

Field Detail

speciesCH4

protected final SpeciesGeneral speciesCH4

potentialMaster

protected final PotentialMaster potentialMaster

integrator

protected final IntegratorMC integrator

moveMolecule

protected final MCMoveMolecule moveMolecule

rotateMolecule

protected final MCMoveRotateMolecule3D rotateMolecule

box

protected final Box box

Constructor Detail

CH4NVT

public CH4NVT(Space space,
              int numberMolecules,
              double boxSize,
              double temperature,
              double truncation)

Method Detail

main

public static void main(java.lang.String[] args)