class UFFTorsionCalc extends Calculation
Constructor | Description |
---|---|
UFFTorsionCalc() |
Modifier and Type | Method | 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, setData
void setData(javajs.util.Lst<java.lang.Object[]> calc, int[] t)
double compute(java.lang.Object[] dataIn)
compute
in class Calculation