Package etomica.osmoticvirial

Class AshtonWildingLJ

java.lang.Object

etomica.simulation.Simulation

etomica.osmoticvirial.AshtonWildingLJ

public class AshtonWildingLJ
extends Simulation

Extends Ashton and Wilding approach for calculation of gas virial coefficient to Lennard-Jones model.

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	AshtonWildingLJ.simParams

Field Summary

Fields

Modifier and Type	Field	Description
protected Box	box
protected IntegratorMC	integrator
protected MCMoveAtom	mcMoveAtom
protected P2LennardJones	potential
protected SpeciesGeneral	species1

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
AshtonWildingLJ(int numAtoms, double density, boolean computeIdeal)

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

box

protected Box box

potential

protected P2LennardJones potential

integrator

protected IntegratorMC integrator

mcMoveAtom

protected MCMoveAtom mcMoveAtom

species1

protected SpeciesGeneral species1

Constructor Detail

AshtonWildingLJ

public AshtonWildingLJ(int numAtoms,
                       double density,
                       boolean computeIdeal)

Parameters:

numAtoms - number of atoms in the box

density - density of the box

computeIdeal - whether to compute histograms for ideal gas

Method Detail

main

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