Package etomica.models.nitrogen

Class HarmonicBetaNitrogenModel

java.lang.Object

etomica.simulation.Simulation

etomica.models.nitrogen.HarmonicBetaNitrogenModel

public class HarmonicBetaNitrogenModel
extends Simulation

Beta-phase Nitrogen Harmonic Approximation with only 3 translational degrees of freedom

Field Summary

Fields

Modifier and Type	Field	Description
protected Box	box
protected CoordinateDefinitionNitrogen	coordinateDef
protected P2Nitrogen	potential
protected PotentialMaster	potentialMaster
protected Space	space

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds

Constructor Summary

Constructors

Constructor	Description
HarmonicBetaNitrogenModel(Space space, int numMolecule, double density)

Method Summary

Modifier and Type	Method	Description
void	doEigenDecomposeAndFile(double[][] array, java.lang.String filename)
double[][]	get2ndDerivative()
void	get2ndDerivativeFile(double[][] array, java.lang.String filename)
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

box

protected Box box

space

protected Space space

potential

protected P2Nitrogen potential

coordinateDef

protected CoordinateDefinitionNitrogen coordinateDef

potentialMaster

protected PotentialMaster potentialMaster

Constructor Detail

HarmonicBetaNitrogenModel

public HarmonicBetaNitrogenModel(Space space,
                                 int numMolecule,
                                 double density)

Method Detail

get2ndDerivative

public double[][] get2ndDerivative()

doEigenDecomposeAndFile

public void doEigenDecomposeAndFile(double[][] array,
                                    java.lang.String filename)

get2ndDerivativeFile

public void get2ndDerivativeFile(double[][] array,
                                 java.lang.String filename)

main

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