org.jmol.minimize.forcefield

Class CalculationsUFF.VDWCalc

java.lang.Object

org.jmol.minimize.forcefield.Calculation

org.jmol.minimize.forcefield.Calculations.PairCalc

org.jmol.minimize.forcefield.CalculationsUFF.VDWCalc

Enclosing class:

CalculationsUFF

 class CalculationsUFF.VDWCalc
extends Calculations.PairCalc

Field Summary

Fields inherited from class org.jmol.minimize.forcefield.Calculation

a, b, c, d, dData, dE, delta, energy, ia, ib, ic, id, iData, key, rab, theta

Constructor Summary

Constructors

Constructor and Description
CalculationsUFF.VDWCalc()

Method Summary

Methods

Modifier and Type	Method and Description
(package private) double	compute(java.lang.Object[] dataIn)
(package private) void	setData(JmolList<java.lang.Object[]> calc, int ia, int ib)

Methods inherited from class org.jmol.minimize.forcefield.Calculation

getEnergy, getPointers

Methods inherited from class java.lang.Object

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

Constructor Detail

CalculationsUFF.VDWCalc

CalculationsUFF.VDWCalc()

Method Detail

setData

void setData(JmolList<java.lang.Object[]> calc,
           int ia,
           int ib)

Specified by:

setData in class Calculations.PairCalc

compute

double compute(java.lang.Object[] dataIn)

Specified by:

compute in class Calculation