Package etomica.models.clathrates

Class ClathrateHarmonicFE

java.lang.Object

etomica.simulation.Simulation

etomica.models.clathrates.ClathrateHarmonicFE

public class ClathrateHarmonicFE
extends Simulation

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	ClathrateHarmonicFE.SimParams

Field Summary

Fields

Modifier and Type	Field	Description
protected Box	box
protected static double[]	initialU
protected MeterPotentialEnergy	meterPE
protected EwaldSummation	potentialES
protected Potential2SoftSpherical	potentialLJ
protected Potential2SoftSphericalLS	potentialLJLS
protected PotentialMaster	potentialMaster
protected SpeciesGeneral	species

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
ClathrateHarmonicFE(Space space, int[] nC, double rCutRealES, double rCutLJ, double[] a0_sc, int numMolecule, java.lang.String configFileName, boolean isIce, double kCut, boolean includeM)

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

initialU

protected static double[] initialU

box

protected Box box

potentialMaster

protected PotentialMaster potentialMaster

species

protected SpeciesGeneral species

meterPE

protected MeterPotentialEnergy meterPE

potentialLJ

protected Potential2SoftSpherical potentialLJ

potentialLJLS

protected Potential2SoftSphericalLS potentialLJLS

potentialES

protected EwaldSummation potentialES

Constructor Detail

ClathrateHarmonicFE

public ClathrateHarmonicFE(Space space,
                           int[] nC,
                           double rCutRealES,
                           double rCutLJ,
                           double[] a0_sc,
                           int numMolecule,
                           java.lang.String configFileName,
                           boolean isIce,
                           double kCut,
                           boolean includeM)

Method Detail

main

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