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java.lang.Objectorg.jmol.minimize.forcefield.Calculation
abstract class Calculation
Field Summary | |
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(package private) MinAtom |
a
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(package private) MinAtom |
b
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(package private) MinAtom |
c
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(package private) MinAtom |
d
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(package private) double[] |
dData
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(package private) double |
dE
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(package private) double |
delta
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(package private) double |
energy
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(package private) int |
ia
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(package private) int |
ib
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(package private) int |
ic
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(package private) int |
id
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(package private) int[] |
iData
|
(package private) FFParam |
parA
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(package private) FFParam |
parB
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(package private) FFParam |
parC
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(package private) double |
rab
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(package private) double |
theta
|
Constructor Summary | |
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Calculation()
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Method Summary | |
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(package private) abstract double |
compute(java.lang.Object[] dataIn)
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(package private) double |
getEnergy()
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(package private) void |
getPointers(java.lang.Object[] dataIn)
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Methods inherited from class java.lang.Object |
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clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Field Detail |
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double dE
FFParam parA
FFParam parB
FFParam parC
MinAtom a
MinAtom b
MinAtom c
MinAtom d
int ia
int ib
int ic
int id
int[] iData
double[] dData
double delta
double rab
double theta
double energy
Constructor Detail |
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Calculation()
Method Detail |
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abstract double compute(java.lang.Object[] dataIn)
double getEnergy()
void getPointers(java.lang.Object[] dataIn)
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