Package etomica.models.nitrogen

Class FindTransitionTemperature

java.lang.Object

etomica.models.nitrogen.FindTransitionTemperature

public class FindTransitionTemperature
extends java.lang.Object

Class that determines the transition properties for alpha and beta nitrogen

Field Summary

Fields

Modifier and Type	Field	Description
protected AkimaSpline	akimaSpline
protected double[][]	alphaCoeffs
protected double[][]	betaCoeffs
protected double[]	density
protected double	desiredPressure
protected double	rhoAlphaTrans
protected double	rhoBetaTrans
protected double	tolerance

Constructor Summary

Constructors

Constructor	Description
FindTransitionTemperature(double[] density, double desiredPressure, double tolerance, java.lang.String fname)

Method Summary

Modifier and Type	Method	Description
double	AAlphaFunction(int i, double temperature)
double[]	AandPAlpha(double rho, double temperature)
double[]	AandPBeta(double rho, double temperature)
double	ABetaFunction(int i, double temperature)
double	findDensityAlpha(double temperature)
double	findDensityBeta(double temperature)
double	findTransTemperature(double T0)
static void	main(java.lang.String[] args)
double	UAlpha(double TransRho, double TransT)
double	UBeta(double TransRho, double TransT)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

akimaSpline

protected AkimaSpline akimaSpline

density

protected double[] density

desiredPressure

protected double desiredPressure

tolerance

protected double tolerance

rhoAlphaTrans

protected double rhoAlphaTrans

rhoBetaTrans

protected double rhoBetaTrans

alphaCoeffs

protected double[][] alphaCoeffs

betaCoeffs

protected double[][] betaCoeffs

Constructor Detail

FindTransitionTemperature

public FindTransitionTemperature(double[] density,
                                 double desiredPressure,
                                 double tolerance,
                                 java.lang.String fname)

Method Detail

AandPAlpha

public double[] AandPAlpha(double rho,
                           double temperature)

AandPBeta

public double[] AandPBeta(double rho,
                          double temperature)

UAlpha

public double UAlpha(double TransRho,
                     double TransT)

UBeta

public double UBeta(double TransRho,
                    double TransT)

AAlphaFunction

public double AAlphaFunction(int i,
                             double temperature)

ABetaFunction

public double ABetaFunction(int i,
                            double temperature)

findDensityAlpha

public double findDensityAlpha(double temperature)

findDensityBeta

public double findDensityBeta(double temperature)

findTransTemperature

public double findTransTemperature(double T0)

main

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