Package etomica.normalmode

Class SimEinStep2HCP

java.lang.Object

etomica.simulation.Simulation

etomica.normalmode.SimEinStep2HCP

public class SimEinStep2HCP
extends Simulation

Simulation that samples a composite energy function (soft sphere and Einstein crystal) and perturbs into overlap regions shared by systems with more or less soft sphere contributions.

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
protected static class	SimEinStep2HCP.MeterPotentialEnergyComposite
static class	SimEinStep2HCP.SimOverlapParam	Inner class for parameters understood by the HSMD3D constructor

Field Summary

Fields

Modifier and Type	Field	Description
MCMoveBoxStep	atomMove
Basis	basis
BoundaryDeformableLattice	boundary
Box	box
IntegratorMC	integrator
int[]	nCells
PotentialMasterList	potentialMaster
PotentialMasterMonatomic	potentialMasterHarmonic
Primitive	primitive

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
SimEinStep2HCP(Space _space, int numAtoms, double density, double temperature, double lambda, int exponent, double rc, double coa)

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

potentialMaster

public final PotentialMasterList potentialMaster

potentialMasterHarmonic

public final PotentialMasterMonatomic potentialMasterHarmonic

integrator

public IntegratorMC integrator

box

public Box box

boundary

public BoundaryDeformableLattice boundary

nCells

public int[] nCells

basis

public Basis basis

primitive

public Primitive primitive

atomMove

public MCMoveBoxStep atomMove

Constructor Detail

SimEinStep2HCP

public SimEinStep2HCP(Space _space,
                      int numAtoms,
                      double density,
                      double temperature,
                      double lambda,
                      int exponent,
                      double rc,
                      double coa)

Method Detail

main

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

Parameters:

args - filename containing simulation parameters

See Also:

SimEinStep2HCP.SimOverlapParam

initialize

public void initialize(long initSteps)