Package etomica.normalmode

Class SimOverlapSoftSphereEin

java.lang.Object

etomica.simulation.Simulation

etomica.normalmode.SimOverlapSoftSphereEin

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

Field Summary

Fields

Modifier and Type	Field	Description
AccumulatorAverageFixed	accumulator
DataPumpListener	accumulatorPump
MCMoveAtomCoupled	atomMove
Basis	basis
Boundary	boundary
Box	box
IntegratorMC	integrator
double	latticeEnergy
MeterOverlapSwitch	meter
int[]	nCells
PotentialMasterList	potentialMaster
PotentialMasterMonatomic	potentialMasterHarmonic
Primitive	primitive

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
SimOverlapSoftSphereEin(Space _space, int numAtoms, double density, boolean slanty, double temperature, double spring, double frac, double[] otherFrac, double[] alpha, int exponent, int numAlpha, double alphaSpan, long numSteps, double rc)

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

latticeEnergy

public final double latticeEnergy

integrator

public IntegratorMC integrator

box

public Box box

boundary

public Boundary boundary

nCells

public int[] nCells

basis

public Basis basis

primitive

public Primitive primitive

accumulator

public AccumulatorAverageFixed accumulator

accumulatorPump

public DataPumpListener accumulatorPump

meter

public MeterOverlapSwitch meter

atomMove

public MCMoveAtomCoupled atomMove

Constructor Detail

SimOverlapSoftSphereEin

public SimOverlapSoftSphereEin(Space _space,
                               int numAtoms,
                               double density,
                               boolean slanty,
                               double temperature,
                               double spring,
                               double frac,
                               double[] otherFrac,
                               double[] alpha,
                               int exponent,
                               int numAlpha,
                               double alphaSpan,
                               long numSteps,
                               double rc)

Method Detail

main

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

Parameters:

args - filename containing simulation parameters

See Also:

SimOverlapSoftSphereEin.SimOverlapParam

initialize

public void initialize(long initSteps)