Package etomica.interfacial

Class LJMD

java.lang.Object

etomica.simulation.Simulation

etomica.interfacial.LJMD

public class LJMD
extends Simulation

Simple Lennard-Jones molecular dynamics simulation in 3D

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	LJMD.LJMDParams

Field Summary

Fields

Modifier and Type	Field	Description
Box	box
ConfigurationLammps	config
IntegratorFixedWall	integrator
MCMoveAtomNbr	mcMove
P2SoftSphericalTruncatedForceShifted	pBW
P2SoftSphericalTruncatedForceShifted	pFF
PotentialMasterList	potentialMaster
P2SoftSphericalTruncatedForceShifted	pTW
SpeciesGeneral	speciesBottomWall
SpeciesGeneral	speciesFluid
SpeciesGeneral	speciesTopWall

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
LJMD(double temperature, double tStep, boolean fixedWall, double spring, double springPosition, double Psat, int hybridInterval, int mcSteps, 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

potentialMaster

public final PotentialMasterList potentialMaster

integrator

public IntegratorFixedWall 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

mcMove

public MCMoveAtomNbr mcMove

Constructor Detail

LJMD

public LJMD(double temperature,
            double tStep,
            boolean fixedWall,
            double spring,
            double springPosition,
            double Psat,
            int hybridInterval,
            int mcSteps,
            java.lang.String lammpsFile)

Method Detail

main

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