class CalculationsMMFF.VDWCalc extends Calculations.PairCalc
Constructor and Description |
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VDWCalc() |
Modifier and Type | Method and Description |
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(package private) double |
compute(Object[] dataIn) |
(package private) void |
setData(javajs.util.List<Object[]> calc,
int ia,
int ib) |
getEnergy, getPointers
void setData(javajs.util.List<Object[]> calc, int ia, int ib)
setData
in class Calculations.PairCalc
double compute(Object[] dataIn)
compute
in class Calculation