Package etomica.normalmode

Class SimLJHTTISuperHCP

java.lang.Object

etomica.simulation.Simulation

etomica.normalmode.SimLJHTTISuperHCP

public class SimLJHTTISuperHCP
extends Simulation

Mapped averaging for LJ HCP with 2-atom basis.

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	SimLJHTTISuperHCP.SimOverlapParam	Inner class for parameters understood by the HSMD3D constructor

Field Summary

Fields

Modifier and Type	Field	Description
MCMoveAtomCoupled	atomMove
Basis	basis
BoundaryRectangularPeriodic	boundary
Box	box
CoordinateDefinitionLeaf	coordinateDefinition
IntegratorMC	integrator
int[]	nCells
Potential2SoftSpherical	potential
PotentialMasterList	potentialMaster
Primitive	primitive
SpeciesGeneral	species

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
SimLJHTTISuperHCP(Space _space, int numAtoms, double density, double temperature, double alpha, double rc, boolean ss, int[] seeds)

Method Summary

Modifier and Type	Method	Description
void	initialize(long initSteps)
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

coordinateDefinition

public final CoordinateDefinitionLeaf coordinateDefinition

integrator

public IntegratorMC integrator

box

public Box box

boundary

public BoundaryRectangularPeriodic boundary

nCells

public int[] nCells

basis

public Basis basis

primitive

public Primitive primitive

atomMove

public MCMoveAtomCoupled atomMove

potentialMaster

public PotentialMasterList potentialMaster

potential

public Potential2SoftSpherical potential

species

public SpeciesGeneral species

Constructor Detail

SimLJHTTISuperHCP

public SimLJHTTISuperHCP(Space _space,
                         int numAtoms,
                         double density,
                         double temperature,
                         double alpha,
                         double rc,
                         boolean ss,
                         int[] seeds)

Method Detail

main

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

Parameters:

args - filename containing simulation parameters

See Also:

SimLJHTTISuperHCP.SimOverlapParam

initialize

public void initialize(long initSteps)