Package etomica.virial

Class BnPCJSDHe

java.lang.Object

etomica.virial.BnPCJSDHe

public class BnPCJSDHe
extends java.lang.Object

This is just a main method for PercusYevick.java. It creates a discretization of the He Mayer function, which PercusYevick then employs to compute Percus-Yevick approximations of the virial coefficients up to mth order. The calculation will increase the number of discretization points and maximum separation until the coefficient converges to within the desired tolerance.

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	BnPCJSDHe.BnPCJSDHeParams

Constructor Summary

Constructors

Constructor	Description
BnPCJSDHe()

Method Summary

Modifier and Type	Method	Description
static double[][]	getConvergence(Potential2Spherical p2, int m, double r_max, double tol, double kT, boolean printapalooza, double core)
static double[]	getfr(Potential2Spherical p2, int N, double del_r, double temp, double core)
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

BnPCJSDHe

public BnPCJSDHe()

Method Detail

main

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

getConvergence

public static double[][] getConvergence(Potential2Spherical p2,
                                        int m,
                                        double r_max,
                                        double tol,
                                        double kT,
                                        boolean printapalooza,
                                        double core)

getfr

public static double[] getfr(Potential2Spherical p2,
                             int N,
                             double del_r,
                             double temp,
                             double core)