Package etomica.models.nitrogen

Class SimDirectBetaN2RP

java.lang.Object

etomica.simulation.Simulation

etomica.models.nitrogen.SimDirectBetaN2RP

public class SimDirectBetaN2RP
extends Simulation

Direct Sampling for Rotational Perturbation

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	SimDirectBetaN2RP.SimOverlapParam	Inner class for parameters understood by the SimOverlapBetaN2RP constructor

Field Summary

Fields

Modifier and Type	Field	Description
protected AccumulatorAverageFixed	boltzmannAverage
protected Box	boxTarg
protected CoordinateDefinitionNitrogen	coordinateDefTarg
protected IntegratorMC	integratorTarg
protected SpeciesGeneral	species

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
SimDirectBetaN2RP(Space space, int numMolecules, double density, double temperature, double[] angle)

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

boltzmannAverage

protected AccumulatorAverageFixed boltzmannAverage

boxTarg

protected Box boxTarg

species

protected SpeciesGeneral species

coordinateDefTarg

protected CoordinateDefinitionNitrogen coordinateDefTarg

integratorTarg

protected IntegratorMC integratorTarg

Constructor Detail

SimDirectBetaN2RP

public SimDirectBetaN2RP(Space space,
                         int numMolecules,
                         double density,
                         double temperature,
                         double[] angle)

Method Detail

main

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

Parameters:

args - filename containing simulation parameters

See Also:

SimDirectBetaN2RP.SimOverlapParam