org.jmol.minimize.forcefield

Class CalculationsUFF.DistanceCalc

class CalculationsUFF.DistanceCalc extends Calculation

Field Summary
doublekb
doubler0
Method Summary
doublecompute(Object[] dataIn)
voidsetData(Vector calc, int ia, int ib, double bondOrder)

Field Detail

kb

double kb

r0

double r0

Method Detail

compute

double compute(Object[] dataIn)

setData

void setData(Vector calc, int ia, int ib, double bondOrder)