Package etomica.tests

Class TestLJMD3D

java.lang.Object

etomica.simulation.Simulation

etomica.tests.TestLJMD3D

public class TestLJMD3D
extends Simulation

Simple Lennard-Jones molecular dynamics simulation in 3D

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	TestLJMD3D.SimParams

Field Summary

Fields

Modifier and Type	Field	Description
AccumulatorAverageCollapsing	avgEnergy
Box	box
MeterPotentialEnergy	energy
IntegratorVelocityVerlet	integrator
P2LennardJones	potential
DataPump	pump
SpeciesGeneral	species

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
TestLJMD3D(int numAtoms, Configuration config)

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 IntegratorVelocityVerlet integrator

species

public SpeciesGeneral species

box

public Box box

potential

public P2LennardJones potential

energy

public MeterPotentialEnergy energy

avgEnergy

public AccumulatorAverageCollapsing avgEnergy

pump

public DataPump pump

Constructor Detail

TestLJMD3D

public TestLJMD3D(int numAtoms,
                  Configuration config)

Method Detail

main

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