Package etomica.models.nitrogen

Class SimOverlapBetaN2RP

java.lang.Object

etomica.simulation.Simulation

etomica.models.nitrogen.SimOverlapBetaN2RP

public class SimOverlapBetaN2RP
extends Simulation

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	SimOverlapBetaN2RP.SimOverlapParam	Inner class for parameters understood by the SimOverlapBetaN2RP constructor

Field Summary

Fields

Modifier and Type	Field	Description
DataPump[]	accumulatorPumps
AccumulatorVirialOverlapSingleAverage[]	accumulators
Basis	basis
Box	boxRef
Box	boxTarg
DataSourceVirialOverlap	dsvo
IntegratorOverlap	integratorOverlap
IntegratorBox[]	integrators
IDataSource[]	meters
int[]	nCells
protected PotentialMaster	potentialMasterRef
protected PotentialMaster	potentialMasterTarg
double	refPref

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
SimOverlapBetaN2RP(Space space, int numMolecules, double density, double temperature, double[] angle, double alpha, double alphaSpan, int numAlpha)

Method Summary

Modifier and Type	Method	Description
void	equilibrate(long initSteps)
static void	main(java.lang.String[] args)
void	setAccumulator(AccumulatorVirialOverlapSingleAverage newAccumulator, int iBox)
void	setRefPref(double alpha, double alphaSpan)

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

integratorOverlap

public IntegratorOverlap integratorOverlap

dsvo

public DataSourceVirialOverlap dsvo

integrators

public IntegratorBox[] integrators

boxTarg

public Box boxTarg

boxRef

public Box boxRef

nCells

public int[] nCells

basis

public Basis basis

refPref

public double refPref

accumulators

public AccumulatorVirialOverlapSingleAverage[] accumulators

accumulatorPumps

public DataPump[] accumulatorPumps

meters

public IDataSource[] meters

potentialMasterTarg

protected PotentialMaster potentialMasterTarg

potentialMasterRef

protected PotentialMaster potentialMasterRef

Constructor Detail

SimOverlapBetaN2RP

public SimOverlapBetaN2RP(Space space,
                          int numMolecules,
                          double density,
                          double temperature,
                          double[] angle,
                          double alpha,
                          double alphaSpan,
                          int numAlpha)

Method Detail

setRefPref

public void setRefPref(double alpha,
                       double alphaSpan)

setAccumulator

public void setAccumulator(AccumulatorVirialOverlapSingleAverage newAccumulator,
                           int iBox)

equilibrate

public void equilibrate(long initSteps)

main

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

Parameters:

args - filename containing simulation parameters

See Also:

SimOverlapBetaN2RP.SimOverlapParam