Package etomica.zeolite

Class ZeoliteSimulation

java.lang.Object

etomica.simulation.Simulation

etomica.zeolite.ZeoliteSimulation

public class ZeoliteSimulation
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.

Field Summary

Fields

Modifier and Type	Field	Description
ActivityIntegrate	ai
Box	box	The Box holding the atoms.
DisplayPlot	ePlot
IntegratorVelocityVerlet	integrator	The Integrator performing the dynamics.
P2LennardJones	potentialMM	The hard-sphere potential governing the interactions.
SpeciesGeneral[]	species	The single hard-sphere species.

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
ZeoliteSimulation()

Method Summary

Modifier and Type	Method	Description
static void	Converter(java.lang.String inputFile)
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, getIntegrator, 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 IntegratorVelocityVerlet integrator

The Integrator performing the dynamics.

species

public final SpeciesGeneral[] species

The single hard-sphere species.

potentialMM

public final P2LennardJones potentialMM

The hard-sphere potential governing the interactions.

ai

public final ActivityIntegrate ai

ePlot

public DisplayPlot ePlot

Constructor Detail

ZeoliteSimulation

public ZeoliteSimulation()

Method Detail

Converter

public static void Converter(java.lang.String inputFile)

main

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

Demonstrates how this class is implemented.