org.jmol.minimize.forcefield
Class CalculationsUFF.VDWCalc

java.lang.Object
  org.jmol.minimize.forcefield.Calculation
      org.jmol.minimize.forcefield.CalculationsUFF.PairCalc
          org.jmol.minimize.forcefield.CalculationsUFF.VDWCalc

Enclosing class:

CalculationsUFF

 class CalculationsUFF.VDWCalc
extends CalculationsUFF.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, parA, parB, parC, rab, theta

Constructor Summary

CalculationsUFF.VDWCalc()

Method Summary

(package private) double	compute(java.lang.Object[] dataIn)
(package private) void	setData(java.util.Vector 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(java.util.Vector calc,
             int ia,
             int ib)

Specified by:

setData in class CalculationsUFF.PairCalc

compute

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

Specified by:

compute in class Calculation