Package etomica.normalmode

Class SimEinStep1HCP

java.lang.Object

etomica.simulation.Simulation

etomica.normalmode.SimEinStep1HCP

public class SimEinStep1HCP
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
static class	SimEinStep1HCP.SimOverlapParam	Inner class for parameters understood by the HSMD3D constructor

Field Summary

Fields

Modifier and Type	Field	Description
MCMoveEinsteinCrystal	atomMove
BasisHcp	basis
BoundaryDeformableLattice	boundary
Box	box
IntegratorMC	integrator
int[]	nCells
PotentialMasterList	potentialMaster
PotentialMasterMonatomic	potentialMasterHarmonic
PrimitiveHexagonal	primitive

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
SimEinStep1HCP(Space _space, int numAtoms, double density, double temperature, double spring, int exponent, double rc, double coa)

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

public final PotentialMasterList potentialMaster

integrator

public IntegratorMC integrator

box

public Box box

boundary

public BoundaryDeformableLattice boundary

nCells

public int[] nCells

basis

public BasisHcp basis

primitive

public PrimitiveHexagonal primitive

atomMove

public MCMoveEinsteinCrystal atomMove

potentialMasterHarmonic

public PotentialMasterMonatomic potentialMasterHarmonic

Constructor Detail

SimEinStep1HCP

public SimEinStep1HCP(Space _space,
                      int numAtoms,
                      double density,
                      double temperature,
                      double spring,
                      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:

SimEinStep1HCP.SimOverlapParam