Package etomica.normalmode

Class SimLJVacancy

java.lang.Object

etomica.simulation.Simulation

etomica.normalmode.SimLJVacancy

public class SimLJVacancy
extends Simulation

Simple Lennard-Jones molecular dynamics simulation in 3D

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	SimLJVacancy.Applet
static class	SimLJVacancy.LJParams

Field Summary

Fields

Modifier and Type	Field	Description
Box	box
IntegratorMC	integrator
MCMoveInsertDeleteLatticeVacancy	mcMoveID
MCMoveVolume	mcMoveVolume
Potential2SoftSpherical	p2LJ
P2SoftSphericalTruncated	potential
PotentialMasterCell	potentialMaster
SpeciesGeneral	species
double	uShift

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
SimLJVacancy(int numAtoms, double temperature, double density, double rc, int numV, double bmu, boolean ss, boolean shifted)

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 PotentialMasterCell potentialMaster

integrator

public IntegratorMC integrator

species

public SpeciesGeneral species

box

public Box box

p2LJ

public Potential2SoftSpherical p2LJ

potential

public P2SoftSphericalTruncated potential

mcMoveVolume

public MCMoveVolume mcMoveVolume

mcMoveID

public MCMoveInsertDeleteLatticeVacancy mcMoveID

uShift

public double uShift

Constructor Detail

SimLJVacancy

public SimLJVacancy(int numAtoms,
                    double temperature,
                    double density,
                    double rc,
                    int numV,
                    double bmu,
                    boolean ss,
                    boolean shifted)

Method Detail

main

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