Package etomica.liquidLJ

Class LjMd3D

java.lang.Object

etomica.simulation.Simulation

etomica.liquidLJ.LjMd3D

public class LjMd3D
extends Simulation

Simple Lennard-Jones molecular dynamics simulation in 3D

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	LjMd3D.DataProcessorCorrection
static class	LjMd3D.DataProcessorReweight
static class	LjMd3D.LjMd3DParams
static class	LjMd3D.ValueCache
static class	LjMd3D.VolumeBias

Field Summary

Fields

Modifier and Type	Field	Description
Box	box
IntegratorVelocityVerlet	integrator
IntegratorMC	integratorMC
MCMoveVolume	mcMoveVolume
Potential2SoftSpherical	potential
PotentialMasterList	potentialMasterList
PotentialMasterMonatomic	potentialMasterLong
PotentialMasterMonatomic	potentialMasterLongCut
SpeciesGeneral	species

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
LjMd3D(int numAtoms, double temperature, double density, double pressure, double tStep, double rcShort, double rcLong, int hybridInterval, IFunction vBias, boolean ss)

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

potentialMasterList

public final PotentialMasterList potentialMasterList

potentialMasterLong

public final PotentialMasterMonatomic potentialMasterLong

potentialMasterLongCut

public final PotentialMasterMonatomic potentialMasterLongCut

integrator

public IntegratorVelocityVerlet integrator

species

public SpeciesGeneral species

box

public Box box

potential

public Potential2SoftSpherical potential

integratorMC

public IntegratorMC integratorMC

mcMoveVolume

public MCMoveVolume mcMoveVolume

Constructor Detail

LjMd3D

public LjMd3D(int numAtoms,
              double temperature,
              double density,
              double pressure,
              double tStep,
              double rcShort,
              double rcLong,
              int hybridInterval,
              IFunction vBias,
              boolean ss)

Method Detail

main

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