etomica.threaded.atom

Class LJMD3DThreaded

java.lang.Object

etomica.simulation.Simulation

etomica.threaded.atom.LJMD3DThreaded

All Implemented Interfaces:

ISimulation

public class LJMD3DThreaded
extends Simulation

Simple Lennard-Jones Monte Carlo simulation in 3D. Initial configurations at http://rheneas.eng.buffalo.edu/etomica/tests/ XXX this stuff probably worked when monatomic molecules were leaf atoms. XXX it still compiles but probably doesn't work

Field Summary

Fields

Modifier and Type	Field and Description
ActivityIntegrate	activityIntegrate
IBox	box
Controller	controller
IntegratorVelocityVerlet	integrator
MCMoveAtom	mcMoveAtom
P2LennardJones	p2lj
P2SoftSphericalTruncated[]	potential
PotentialThreaded	potentialThreaded
SpeciesSpheresMono	species

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor and Description
LJMD3DThreaded()
LJMD3DThreaded(int numAtoms, int numThreads)

Method Summary

Modifier and Type	Method and Description
static void	main(java.lang.String[] args)

Methods inherited from class etomica.simulation.Simulation

addBox, addSpecies, atomTypeAddedNotify, atomTypeRemovedNotify, getBox, getBoxCount, getController, getEventManager, getIntegrator, getRandom, getRandomSeeds, getSpace, getSpecies, getSpeciesCount, makeUniqueElementSymbol, removeBox, removeSpecies, setRandom

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

integrator

public IntegratorVelocityVerlet integrator

mcMoveAtom

public MCMoveAtom mcMoveAtom

species

public SpeciesSpheresMono species

box

public IBox box

p2lj

public P2LennardJones p2lj

potential

public P2SoftSphericalTruncated[] potential

potentialThreaded

public PotentialThreaded potentialThreaded

controller

public Controller controller

activityIntegrate

public ActivityIntegrate activityIntegrate

Constructor Detail

LJMD3DThreaded

public LJMD3DThreaded()

LJMD3DThreaded

public LJMD3DThreaded(int numAtoms,
                      int numThreads)

Method Detail

main

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