Package etomica.normalmode

Class SimOverlapSoftSphereTP

java.lang.Object

etomica.simulation.Simulation

etomica.normalmode.SimOverlapSoftSphereTP

public class SimOverlapSoftSphereTP
extends Simulation

Simulation to run sampling with the hard sphere potential, but measuring the harmonic potential based on normal mode data from a previous simulation. The original Bennett's Overlapping Sampling Simulation - used to check for the computation time

Nested Class Summary

Nested Classes

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

Field Summary

Fields

Modifier and Type	Field	Description
AccumulatorAverageFixed	accumulator
DataPumpListener	accumulatorPump
protected MCMoveAtomCoupled	atomMove
Basis	basis
Boundary	boundary
Box	box
CoordinateDefinitionLeaf	coordinateDefinition
IntegratorMC	integrator
protected double	latticeEnergy
MeterTargetTP	meter
int[]	nCells
protected PotentialMaster	potentialMaster
Primitive	primitive

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
SimOverlapSoftSphereTP(Space _space, int numAtoms, boolean slanty, boolean flex, double density, double temperature, double[] otherTemperatures, 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

integrator

public IntegratorMC integrator

box

public Box box

boundary

public Boundary boundary

coordinateDefinition

public CoordinateDefinitionLeaf coordinateDefinition

nCells

public int[] nCells

basis

public Basis basis

primitive

public Primitive primitive

accumulator

public AccumulatorAverageFixed accumulator

accumulatorPump

public DataPumpListener accumulatorPump

meter

public MeterTargetTP meter

atomMove

protected MCMoveAtomCoupled atomMove

potentialMaster

protected PotentialMaster potentialMaster

latticeEnergy

protected double latticeEnergy

Constructor Detail

SimOverlapSoftSphereTP

public SimOverlapSoftSphereTP(Space _space,
                              int numAtoms,
                              boolean slanty,
                              boolean flex,
                              double density,
                              double temperature,
                              double[] otherTemperatures,
                              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:

SimOverlapSoftSphereTP.SimOverlapParam

initialize

public void initialize(long initSteps)