Package etomica.freeenergy.npath

Class SimLJ

java.lang.Object

etomica.simulation.Simulation

etomica.freeenergy.npath.SimLJ

public class SimLJ
extends Simulation

Simple Lennard-Jones molecular dynamics simulation in 3D

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	SimLJ.LjMC3DParams

Field Summary

Fields

Modifier and Type	Field	Description
Box	box
IntegratorMC	integrator
MCMoveAtomNPath	mcMoveAtom
MCMoveAtomCoupled	mcMoveAtomCoupled
MCMoveAtomSwap	mcMoveSwap
P1ImageHarmonic	p1ImageHarmonic
P2LennardJones	potential
PotentialMasterCell	potentialMasterCell
SpeciesGeneral	species

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
SimLJ(int numAtoms, double temperature, double density, double rc, double w, int offsetDim)

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

potentialMasterCell

public final PotentialMasterCell potentialMasterCell

integrator

public IntegratorMC integrator

species

public SpeciesGeneral species

box

public Box box

potential

public P2LennardJones potential

mcMoveAtom

public MCMoveAtomNPath mcMoveAtom

mcMoveAtomCoupled

public MCMoveAtomCoupled mcMoveAtomCoupled

mcMoveSwap

public MCMoveAtomSwap mcMoveSwap

p1ImageHarmonic

public P1ImageHarmonic p1ImageHarmonic

Constructor Detail

SimLJ

public SimLJ(int numAtoms,
             double temperature,
             double density,
             double rc,
             double w,
             int offsetDim)

Method Detail

main

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