Package etomica.virial

Class HypernettedChain

java.lang.Object

etomica.virial.HypernettedChain

public class HypernettedChain
extends java.lang.Object

Calculates the hypernetted-chain (HNC) virial coefficients of second to Mth order for any spherically-symmetric Mayer function, fr. These values differ above third order for the compressilibility and virial routes. This class has only been tested for the hard sphere and Lennard-Jones potentials.

Field Summary

Fields

Modifier and Type	Field	Description
boolean	compressibility
double[]	rdfdr

Constructor Summary

Constructors

Constructor	Description
HypernettedChain()

Method Summary

Modifier and Type	Method	Description
double[]	computeB(double[] fr, int M, int N, double del_r, boolean DCF)
void	setrdfdr(double[] rdfdr)
void	setRoute(boolean compressibility)

Methods inherited from class java.lang.Object

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

Field Detail

compressibility

public boolean compressibility

rdfdr

public double[] rdfdr

Constructor Detail

HypernettedChain

public HypernettedChain()

Method Detail

setRoute

public void setRoute(boolean compressibility)

computeB

public double[] computeB(double[] fr,
                         int M,
                         int N,
                         double del_r,
                         boolean DCF)

setrdfdr

public void setrdfdr(double[] rdfdr)