Package org.jmol.minimize.forcefield
Class MMFFESCalc
java.lang.Object
org.jmol.minimize.forcefield.Calculation
org.jmol.minimize.forcefield.MMFFESCalc
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Field Summary
Fields -
Constructor Summary
Constructors -
Method Summary
Methods inherited from class org.jmol.minimize.forcefield.Calculation
getEnergy, getPointers, set
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Field Details
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BUFF
private static final double BUFF- See Also:
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Constructor Details
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MMFFESCalc
MMFFESCalc()
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Method Details
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setData
- Overrides:
setData
in classCalculation
- Parameters:
calc
-ia
-ib
-d
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compute
- Specified by:
compute
in classCalculation
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