Package etomica.dielectric

Class TIP4P_NVT

java.lang.Object

etomica.simulation.Simulation

etomica.dielectric.TIP4P_NVT

public class TIP4P_NVT
extends Simulation

Canonical ensemble Monte Carlo simulation (NVT) dielectric constant (epsilon) TIP4P water

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	TIP4P_NVT.DipoleSourceTIP4PWater
static class	TIP4P_NVT.Param

Field Summary

Fields

Modifier and Type	Field	Description
protected Box	box
protected double	chargeH
protected double	chargeM
protected double	epsilonLJ
protected IntegratorMC	integrator
protected MCMoveMolecule	moveMolecule
protected PotentialMaster	potentialMaster
protected P2WaterTIP4PSoft	pWater
protected MCMoveRotateMolecule3D	rotateMolecule
protected double	sigmaLJ
protected SpeciesGeneral	species

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
TIP4P_NVT(Space space, int numberMolecules, double dielectricOutside, double boxSize, double temperature, double truncation)

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

protected final PotentialMaster potentialMaster

integrator

protected final IntegratorMC integrator

moveMolecule

protected final MCMoveMolecule moveMolecule

rotateMolecule

protected final MCMoveRotateMolecule3D rotateMolecule

box

protected final Box box

species

protected SpeciesGeneral species

pWater

protected P2WaterTIP4PSoft pWater

sigmaLJ

protected double sigmaLJ

epsilonLJ

protected double epsilonLJ

chargeM

protected double chargeM

chargeH

protected double chargeH

Constructor Detail

TIP4P_NVT

public TIP4P_NVT(Space space,
                 int numberMolecules,
                 double dielectricOutside,
                 double boxSize,
                 double temperature,
                 double truncation)

Method Detail

main

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