Package etomica.modules.glass

Class SimGlass

java.lang.Object

etomica.simulation.Simulation

etomica.modules.glass.SimGlass

public class SimGlass
extends Simulation

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	SimGlass.GlassParams
static class	SimGlass.PotentialChoice

Field Summary

Fields

Modifier and Type	Field	Description
Box	box
protected int	chs
IntegratorMD	integrator
IntegratorMC	integratorMC
protected P2SquareWell	p2AA
SimGlass.PotentialChoice	potentialChoice
double	sigmaB
SpeciesGeneral	speciesA
SpeciesGeneral	speciesB
MCMoveSwap	swapMove

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
SimGlass(int D, int nA, int nB, double density, double temperature, boolean doSwap, SimGlass.PotentialChoice pc, double tStep)
SimGlass(int D, int nA, int nB, double density, double temperature, boolean doSwap, SimGlass.PotentialChoice pc, double tStep, int[] randSeeds)

Method Summary

Modifier and Type	Method	Description
IntegratorMD	getIntegrator()
void	initConfig()
static void	main(java.lang.String[] args)
Activity	makeInitConfigActivity()

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

speciesA

public SpeciesGeneral speciesA

speciesB

public SpeciesGeneral speciesB

box

public Box box

integrator

public IntegratorMD integrator

swapMove

public final MCMoveSwap swapMove

integratorMC

public final IntegratorMC integratorMC

potentialChoice

public final SimGlass.PotentialChoice potentialChoice

p2AA

protected P2SquareWell p2AA

sigmaB

public double sigmaB

chs

protected int chs

Constructor Detail

SimGlass

public SimGlass(int D,
                int nA,
                int nB,
                double density,
                double temperature,
                boolean doSwap,
                SimGlass.PotentialChoice pc,
                double tStep)

SimGlass

public SimGlass(int D,
                int nA,
                int nB,
                double density,
                double temperature,
                boolean doSwap,
                SimGlass.PotentialChoice pc,
                double tStep,
                int[] randSeeds)

Method Detail

makeInitConfigActivity

public Activity makeInitConfigActivity()

initConfig

public void initConfig()

getIntegrator

public IntegratorMD 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)