Package etomica.freeenergy.npath

Class SimLattice

java.lang.Object

etomica.simulation.Simulation

etomica.freeenergy.npath.SimLattice

public class SimLattice
extends Simulation

Simple Lennard-Jones molecular dynamics simulation in 3D

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	SimLattice.LjMC3DParams

Field Summary

Fields

Modifier and Type	Field	Description
Box	box
static double	pi32
SpeciesGeneral	species

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

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

Method Summary

Modifier and Type	Method	Description
static void	main(java.lang.String[] args)
static double	q(double alpha, double betaw, double R2)
static double	uIntOverQ(double alpha, double betaw, double R2)

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

species

public SpeciesGeneral species

box

public Box box

pi32

public static final double pi32

Constructor Detail

SimLattice

public SimLattice(int numAtoms,
                  double temperature,
                  double density,
                  double w,
                  int offsetDim)

Method Detail

q

public static double q(double alpha,
                       double betaw,
                       double R2)

uIntOverQ

public static double uIntOverQ(double alpha,
                               double betaw,
                               double R2)

main

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