Package etomica.normalmode

Class HSDimerNPT

java.lang.Object

etomica.simulation.Simulation

etomica.normalmode.HSDimerNPT

public class HSDimerNPT
extends Simulation

NPT simulation for hard sphere solid using an MCMove that does coordinate scaling with volume changes.

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	HSDimerNPT.HSMD3DParameters

Field Summary

Fields

Modifier and Type	Field	Description
Box	box
CoordinateDefinitionHSDimer	coordinateDefinition
static boolean	doFancyMonoclinic
static boolean	doFancyOriented
static boolean	doGraphics
static boolean	doRot
static boolean	doShape
IntegratorMC	integrator
Box	latticeBox
PotentialMasterList	potentialMaster
SpeciesGeneral	species
double	theta

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
HSDimerNPT(Space space, int numMolecules, boolean fancyMove, double pSet, double rho, int[] nC, int cp, double L, double thetaFrac, double targetAcc)

Method Summary

Modifier and Type	Method	Description
static void	main(java.lang.String[] args)	Demonstrates how this class is implemented.

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

doFancyMonoclinic

public static boolean doFancyMonoclinic

doFancyOriented

public static boolean doFancyOriented

doRot

public static boolean doRot

doShape

public static boolean doShape

doGraphics

public static boolean doGraphics

potentialMaster

public final PotentialMasterList potentialMaster

integrator

public final IntegratorMC integrator

species

public final SpeciesGeneral species

box

public final Box box

latticeBox

public final Box latticeBox

coordinateDefinition

public final CoordinateDefinitionHSDimer coordinateDefinition

theta

public final double theta

Constructor Detail

HSDimerNPT

public HSDimerNPT(Space space,
                  int numMolecules,
                  boolean fancyMove,
                  double pSet,
                  double rho,
                  int[] nC,
                  int cp,
                  double L,
                  double thetaFrac,
                  double targetAcc)

Method Detail

main

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

Demonstrates how this class is implemented.