Package etomica.freeenergy.npath

Class SimFe

java.lang.Object

etomica.simulation.Simulation

etomica.freeenergy.npath.SimFe

public class SimFe
extends Simulation

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	SimFe.LjMC3DParams

Field Summary

Fields

Modifier and Type	Field	Description
Box	box
IntegratorVelocityVerlet	integrator
MCMoveAtomSwap	mcMoveSwap
P1ImageHarmonic	p1ImageHarmonic
P2EAM	potential
PotentialMasterList	potentialMaster
SpeciesGeneral	species

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
SimFe(etomica.freeenergy.npath.SimFe.Crystal crystal, int numAtoms, double temperature, double density, double w, int offsetDim, int numInnerSteps, boolean swap, boolean doHarmonic, double timeStep)

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

potentialMaster

public final PotentialMasterList potentialMaster

integrator

public IntegratorVelocityVerlet integrator

species

public SpeciesGeneral species

box

public Box box

potential

public P2EAM potential

p1ImageHarmonic

public P1ImageHarmonic p1ImageHarmonic

mcMoveSwap

public MCMoveAtomSwap mcMoveSwap

Constructor Detail

SimFe

public SimFe(etomica.freeenergy.npath.SimFe.Crystal crystal,
             int numAtoms,
             double temperature,
             double density,
             double w,
             int offsetDim,
             int numInnerSteps,
             boolean swap,
             boolean doHarmonic,
             double timeStep)

Method Detail

main

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