Package etomica.virial

Class B2Ionic

java.lang.Object

etomica.virial.B2Ionic

public class B2Ionic
extends java.lang.Object

two points cluster diagrams calculation Integral I2,S2,mean activity coefficient,osmotic coefficient of ionic solution via single integrals include cycle diagram(=>DHLL); (k0); (k2);(kn+n) =0, k-bond, =1, modified q-bond,etc, m>3,two diagrams are added up to evaluate s = parameter * c^2 * I ds/dc = parameter * ( 2*c*I + c^2 * dI/dc) all are in simulation units contains "linear step in sqrt(c)" && "linear step in c"

Constructor Summary

Constructors

Constructor	Description
B2Ionic()

Method Summary

Modifier and Type	Method	Description
static double[]	getfr(int N, double del_r, double kappa, double concentration, int bondNumber, boolean derivative)
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

B2Ionic

public B2Ionic()

Method Detail

main

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

getfr

public static double[] getfr(int N,
                             double del_r,
                             double kappa,
                             double concentration,
                             int bondNumber,
                             boolean derivative)