energy
Class Bornradii_STILL

java.lang.Object
  energy.Bornradii_STILL

public class Bornradii_STILL

extends java.lang.Object

Field Summary

(package private) int[][]	angles
(package private) Particles	atoms
(package private) double[][]	bondlength
(package private) int[][]	bonds
(package private) double[]	bornradius
(package private) double	FEPS
(package private) double[]	gpol
(package private) double	invP5
(package private) int[][]	nonb
(package private) double	P1
(package private) double	P2
(package private) double	P3
(package private) double	P4
(package private) double	P5
(package private) double	phi
(package private) SimSystem	sys
(package private) double[]	volume

Constructor Summary

Bornradii_STILL(Particles atoms, SimSystem sys)

Method Summary

void	calc()
private void	calcBornradii()
private double	calcOverlap(int I, int J, double bl)
private void	calcVolume()
double[]	getbornradii()
double[]	getgpol()
private void	init()
void	makematrix()
void	setparams(double[] p)

Methods inherited from class java.lang.Object

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

Field Detail

atoms

Particles atoms

sys

SimSystem sys

bonds

int[][] bonds

bondlength

double[][] bondlength

angles

int[][] angles

nonb

int[][] nonb

bornradius

double[] bornradius

gpol

double[] gpol

volume

double[] volume

FEPS

double FEPS

phi

double phi

P1

double P1

P2

double P2

P3

double P3

P4

double P4

P5

double P5

invP5

double invP5

Constructor Detail

Bornradii_STILL

public Bornradii_STILL(Particles atoms,
                       SimSystem sys)

Method Detail

init

private void init()

makematrix

public void makematrix()

calcVolume

private void calcVolume()

calcOverlap

private double calcOverlap(int I,
                           int J,
                           double bl)

calcBornradii

private void calcBornradii()

calc

public void calc()

getbornradii

public double[] getbornradii()

getgpol

public double[] getgpol()

setparams

public void setparams(double[] p)