Package etomica.simulation.prototypes

Class HSMD3D

java.lang.Object

etomica.simulation.Simulation

etomica.simulation.prototypes.HSMD3D

public class HSMD3D
extends Simulation

Three-dimensional hard-sphere molecular dynamics simulation, using neighbor listing.

Developed as a prototype and example for the construction of a basic simulation.

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	HSMD3D.HSMD3DParam	Inner class for parameters understood by the HSMD3D constructor

Field Summary

Fields

Modifier and Type	Field	Description
Box	box	The Box holding the atoms.
IntegratorHard	integrator	The Integrator performing the dynamics.
P2HardSphere	potential	The hard-sphere potential governing the interactions.
PotentialMaster	potentialMaster
SpeciesGeneral	species	The single hard-sphere species.

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
HSMD3D()	Makes a simulation using a 3D space and the default parameters.
HSMD3D(HSMD3D.HSMD3DParam params)	Makes a simulation according to the specified parameters.

Method Summary

Modifier and Type	Method	Description
IntegratorHard	getIntegrator()
static HSMD3D.HSMD3DParam	getParameters()
static void	main(java.lang.String[] args)	Demonstrates how this class is implemented.

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, getRandom, getRandomSeeds, getSpace, getSpecies, getSpeciesCount, getSpeciesList, makeBox, makeBox, makeUniqueElementSymbol, removeBox, setRandom, species

Field Detail

box

public final Box box

The Box holding the atoms.

integrator

public final IntegratorHard integrator

The Integrator performing the dynamics.

species

public final SpeciesGeneral species

The single hard-sphere species.

potential

public final P2HardSphere potential

The hard-sphere potential governing the interactions.

potentialMaster

public final PotentialMaster potentialMaster

Constructor Detail

HSMD3D

public HSMD3D()

Makes a simulation using a 3D space and the default parameters.

HSMD3D

public HSMD3D(HSMD3D.HSMD3DParam params)

Makes a simulation according to the specified parameters.

Parameters:

params - Parameters as defined by the inner class HSMD3DParam

Method Detail

getIntegrator

public IntegratorHard getIntegrator()

Overrides:

getIntegrator in class Simulation

Returns:

the Simulation's primary integrator. If the controller holds multiple integrators, the first is returned. If the first integrator holds sub-integrators, the top-level integrator is still returned. This method assumes the controller holds an ActivityIntegrate. Returns null if no integrator is found.

main

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

Demonstrates how this class is implemented.

getParameters

public static HSMD3D.HSMD3DParam getParameters()