class UFFDistanceCalc extends Calculation
| Modifier and Type | Field and Description |
|---|---|
(package private) double |
kb |
(package private) double |
r0 |
| Constructor and Description |
|---|
UFFDistanceCalc() |
| Modifier and Type | Method and Description |
|---|---|
(package private) double |
compute(java.lang.Object[] dataIn) |
(package private) void |
setData(javajs.util.Lst<java.lang.Object[]> calc,
int ia,
int ib,
double bondOrder) |
getEnergy, getPointers, setvoid setData(javajs.util.Lst<java.lang.Object[]> calc,
int ia,
int ib,
double bondOrder)
setData in class Calculationdouble compute(java.lang.Object[] dataIn)
compute in class Calculation