Package etomica.interfacial

Class LJMC

java.lang.Object

etomica.simulation.Simulation

etomica.interfacial.LJMC

public class LJMC
extends Simulation

Simple Lennard-Jones molecular dynamics simulation in 3D

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	LJMC.LjMC3DParams

Field Summary

Fields

Modifier and Type	Field	Description
Box	box
ConfigurationLammps	config
IntegratorMC	integrator
P2SoftSphericalTruncatedForceShifted	pBW
P2SoftSphericalTruncatedForceShifted	pFF
PotentialMasterCell	potentialMasterCell
P2SoftSphericalTruncatedForceShifted	pTW
SpeciesGeneral	speciesBottomWall
SpeciesGeneral	speciesFluid
SpeciesGeneral	speciesTopWall

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
LJMC(double temperature, java.lang.String lammpsFile)

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

potentialMasterCell

public final PotentialMasterCell potentialMasterCell

integrator

public IntegratorMC integrator

speciesFluid

public SpeciesGeneral speciesFluid

speciesTopWall

public SpeciesGeneral speciesTopWall

speciesBottomWall

public SpeciesGeneral speciesBottomWall

box

public Box box

pFF

public P2SoftSphericalTruncatedForceShifted pFF

pTW

public P2SoftSphericalTruncatedForceShifted pTW

pBW

public P2SoftSphericalTruncatedForceShifted pBW

config

public ConfigurationLammps config

Constructor Detail

LJMC

public LJMC(double temperature,
            java.lang.String lammpsFile)

Method Detail

main

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