class UFFTorsionCalc extends Calculation
| Constructor and Description |
|---|
UFFTorsionCalc() |
| 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[] t) |
getEnergy, getPointers, set, setDatavoid setData(javajs.util.Lst<java.lang.Object[]> calc,
int[] t)
double compute(java.lang.Object[] dataIn)
compute in class Calculation