org.jmol.minimize.forcefield

Class CalculationsUFF.PairCalc

java.lang.Object

org.jmol.minimize.forcefield.Calculation

org.jmol.minimize.forcefield.CalculationsUFF.PairCalc

Direct Known Subclasses:

CalculationsUFF.ESCalc, CalculationsUFF.VDWCalc

Enclosing class:

CalculationsUFF

abstract class CalculationsUFF.PairCalc
extends Calculation

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

Constructors

Constructor and Description
CalculationsUFF.PairCalc()

Method Summary

Methods

Modifier and Type	Method and Description
(package private) abstract void	setData(java.util.List<java.lang.Object[]> calc, int ia, int ib)

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

compute, getEnergy, getPointers

Methods inherited from class java.lang.Object

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

Constructor Detail

CalculationsUFF.PairCalc

CalculationsUFF.PairCalc()

Method Detail

setData

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