Package etomica.virial

Class PercusYevick1QC

java.lang.Object

etomica.virial.PercusYevick1QC

public class PercusYevick1QC
extends java.lang.Object

Computes the Percus-Yevick compressibility-route approximation to the first quantum correction of Bn, where the first quantum correction is as defined Kim and Henderson (1968,1966). The gradient of u is equal to d2u/dr2 + 2/r*(du/dr). Percus-Yevick approximation is fully accurate at second and third order. Applicable only for spherically symmetric pair potentials.

Field Summary

Fields

Modifier and Type	Field	Description
double[]	r2d2udr2
double[]	rdudr

Constructor Summary

Constructors

Constructor	Description
PercusYevick1QC()

Method Summary

Modifier and Type	Method	Description
double[]	computeB(double[] fr, int M, int N, double del_r, boolean DCF)
void	setr2d2udr2(double[] r2d2udr2)
void	setrdudr(double[] rdudr)

Methods inherited from class java.lang.Object

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

Field Detail

rdudr

public double[] rdudr

r2d2udr2

public double[] r2d2udr2

Constructor Detail

PercusYevick1QC

public PercusYevick1QC()

Method Detail

computeB

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

setrdudr

public void setrdudr(double[] rdudr)

setr2d2udr2

public void setr2d2udr2(double[] r2d2udr2)