org.jmol.minimize.forcefield
class CalculationsUFF.OOPCalc extends Calculation
Constructor and Description |
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CalculationsUFF.OOPCalc() |
Modifier and Type | Method and Description |
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(package private) double |
compute(Object[] dataIn) |
(package private) void |
setData(List<Object[]> calc,
int ib,
int elemNo) |
getEnergy, getPointers
double compute(Object[] dataIn)
compute
in class Calculation