Package etomica.osmoticvirial

Class NVTWidomInsertLJ

java.lang.Object

etomica.simulation.Simulation

etomica.osmoticvirial.NVTWidomInsertLJ

public class NVTWidomInsertLJ
extends Simulation

Calculate osmotic virial coefficients for Lennard-Jones potential in Canonical ensemble from Free-Energy Perturbation Approach utilizing Widom's Insertion.

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	NVTWidomInsertLJ.simParams

Field Summary

Fields

Modifier and Type	Field	Description
Box	box
IntegratorMC	integrator
MCMoveAtom	mcMoveAtom
P2LennardJones	potential1
P2LennardJones	potential12
P2LennardJones	potential2
SpeciesGeneral	species1
SpeciesGeneral	species2

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
NVTWidomInsertLJ(int numAtoms, double temp, double density, double sigma2, double epsilon2, boolean computez2)

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

integrator

public IntegratorMC integrator

mcMoveAtom

public MCMoveAtom mcMoveAtom

species1

public SpeciesGeneral species1

species2

public SpeciesGeneral species2

box

public Box box

potential1

public P2LennardJones potential1

potential2

public P2LennardJones potential2

potential12

public P2LennardJones potential12

Constructor Detail

NVTWidomInsertLJ

public NVTWidomInsertLJ(int numAtoms,
                        double temp,
                        double density,
                        double sigma2,
                        double epsilon2,
                        boolean computez2)

Method Detail

main

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