org.jmol.minimize.forcefield
Class CalculationsUFF.DistanceCalc
java.lang.Object
org.jmol.minimize.forcefield.Calculation
org.jmol.minimize.forcefield.CalculationsUFF.DistanceCalc
- Enclosing class:
- CalculationsUFF
class CalculationsUFF.DistanceCalc
- extends Calculation
Field Summary |
(package private) double |
kb
|
(package private) double |
r0
|
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 |
Method Summary |
(package private) double |
compute(Object[] dataIn)
|
(package private) void |
setData(List calc,
int ia,
int ib,
double bondOrder)
|
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
r0
double r0
kb
double kb
CalculationsUFF.DistanceCalc
CalculationsUFF.DistanceCalc()
setData
void setData(List calc,
int ia,
int ib,
double bondOrder)
compute
double compute(Object[] dataIn)
- Specified by:
compute
in class Calculation