Package org.jmol.minimize.forcefield
Class MMFFDistanceCalc
java.lang.Object
org.jmol.minimize.forcefield.Calculation
org.jmol.minimize.forcefield.MMFFDistanceCalc
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Field Summary
FieldsModifier and TypeFieldDescription(package private) static final double
(package private) static final double
(package private) double
(package private) static final double
(package private) double
(package private) double
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Constructor Summary
Constructors -
Method Summary
Methods inherited from class org.jmol.minimize.forcefield.Calculation
getEnergy, getPointers, set, setData
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Field Details
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FSTRETCH
static final double FSTRETCH- See Also:
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CS
static final double CS- See Also:
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CS2
static final double CS2- See Also:
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r0
double r0 -
kb
double kb -
delta2
double delta2
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Constructor Details
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MMFFDistanceCalc
MMFFDistanceCalc()
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Method Details
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setData
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compute
- Specified by:
compute
in classCalculation
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