Package etomica.virial

Class BnHNCLJ

java.lang.Object

etomica.virial.BnHNCLJ

public class BnHNCLJ
extends java.lang.Object

This is just a main method for HypernettedChain.java... It creates a discretization of the Lennard-Jones Mayer function, which HypernettedChain then employs to compute HypernettedChain approximations of the virial coefficients up to mth order. The second and third coefficients are fully accurate (the HNC approximation is exact). Use the setRoute() method in HypernettedChain to select whether the compressibility-route or virial-route approximation is used.

Constructor Summary

Constructors

Constructor	Description
BnHNCLJ()

Method Summary

Modifier and Type	Method	Description
static double[]	getfr(int N, double del_r, double reducedTemp)
static double[]	getrdfdr(int N, double del_r, double reducedTemp)
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

Constructor Detail

BnHNCLJ

public BnHNCLJ()

Method Detail

main

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

getfr

public static double[] getfr(int N,
                             double del_r,
                             double reducedTemp)

getrdfdr

public static double[] getrdfdr(int N,
                                double del_r,
                                double reducedTemp)