Package etomica.virial

Class BnIETP2Spherical

java.lang.Object

etomica.virial.BnIETP2Spherical

public class BnIETP2Spherical
extends java.lang.Object

This is just a main method for HypernettedChain.java or PercusYevick.java... It creates a discretization of the Mayer function for a spherically symmetric potential, which HypernettedChain (or PercusYevick) then employs to compute approximations of the virial coefficients up to mth order. The second and third coefficients are fully accurate (the HNC (or PY) approximation is exact). Use the boolean compressibilityRoute to select whether the compressibility-route or virial-route approximation is used. Use the boolean QFH to select whether the quadratic Feynman-Hibbs modification to the potential is used.

Constructor Summary

Constructors

Constructor	Description
BnIETP2Spherical()

Method Summary

Modifier and Type	Method	Description
static double[]	computeB(int m, int N, double del_r, double temp, Potential2SoftSpherical p2)
static double[][]	getConvergence(Potential2SoftSpherical p2, int power, int m, double r_max, double temp, boolean printapalooza)
static double[]	getfr(int N, double del_r, double temp, Potential2Spherical p2)
static double[]	getrdfdr(int N, double del_r, double temp, Potential2SoftSpherical p2)
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

BnIETP2Spherical

public BnIETP2Spherical()

Method Detail

main

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

getConvergence

public static double[][] getConvergence(Potential2SoftSpherical p2,
                                        int power,
                                        int m,
                                        double r_max,
                                        double temp,
                                        boolean printapalooza)

computeB

public static double[] computeB(int m,
                                int N,
                                double del_r,
                                double temp,
                                Potential2SoftSpherical p2)

getfr

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

getrdfdr

public static double[] getrdfdr(int N,
                                double del_r,
                                double temp,
                                Potential2SoftSpherical p2)