org.jmol.minimize.forcefield
Class CalculationsUFF.VDWCalc

java.lang.Object
  extended by org.jmol.minimize.forcefield.Calculation
      extended by org.jmol.minimize.forcefield.CalculationsUFF.PairCalc
          extended by 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.List<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(java.util.List<java.lang.Object[]> 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