Package etomica.virial

Class BnJHBVArgon_Analytic

java.lang.Object

etomica.virial.BnJHBVArgon_Analytic

public class BnJHBVArgon_Analytic
extends java.lang.Object

Computes virial coefficients for argon using the analytical expressions developed by Jaeger, Hellmann, Bich, and Vogel (2011), JCP, 135: 084308. The authors computed B4-B7 using MSMC. They employed only a pair potential and a nonadditive trimer potential, the later of which they developed in this work. The potentials are ab initio. A first-order quantum correction is included on B2-B4. The nonadditive trimer contribution to B7 is neglected.

Field Summary

Fields

Modifier and Type	Field	Description
protected static double[]	c2
protected static double[]	c2_sqrt
protected static double[]	c3
protected static double[]	c3_sqrt
protected static double[]	c3Add
protected static double[]	c3Add_sqrt
protected static double[]	c4
protected static double[]	c4_sqrt
protected static double[]	c4Add
protected static double[]	c4Add_sqrt
protected static double[]	c5
protected static double[]	c5_sqrt
protected static double[]	c5Add
protected static double[]	c5Add_sqrt
protected static double[]	c6
protected static double[]	c6_sqrt
protected static double[]	c6Add
protected static double[]	c6Add_sqrt
protected static double[]	c7Add
protected static double[]	c7Add_sqrt

Constructor Summary

Constructors

Constructor	Description
BnJHBVArgon_Analytic()

Method Summary

Modifier and Type	Method	Description
static double	getBn(double T, double[] c, double[] c_sqrt)
static void	main(java.lang.String[] args)
void	setParams()

Methods inherited from class java.lang.Object

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

Field Detail

c2

protected static final double[] c2

c3

protected static final double[] c3

c4

protected static final double[] c4

c5

protected static final double[] c5

c6

protected static final double[] c6

c3Add

protected static final double[] c3Add

c4Add

protected static final double[] c4Add

c5Add

protected static final double[] c5Add

c6Add

protected static final double[] c6Add

c7Add

protected static final double[] c7Add

c2_sqrt

protected static final double[] c2_sqrt

c3_sqrt

protected static final double[] c3_sqrt

c4_sqrt

protected static final double[] c4_sqrt

c5_sqrt

protected static final double[] c5_sqrt

c6_sqrt

protected static final double[] c6_sqrt

c3Add_sqrt

protected static final double[] c3Add_sqrt

c4Add_sqrt

protected static final double[] c4Add_sqrt

c5Add_sqrt

protected static final double[] c5Add_sqrt

c6Add_sqrt

protected static final double[] c6Add_sqrt

c7Add_sqrt

protected static final double[] c7Add_sqrt

Constructor Detail

BnJHBVArgon_Analytic

public BnJHBVArgon_Analytic()

Method Detail

setParams

public void setParams()

getBn

public static double getBn(double T,
                           double[] c,
                           double[] c_sqrt)

main

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