Package org.jmol.minimize
Class MinAtom
java.lang.Object
org.jmol.minimize.MinAtom
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Field Summary
Fields -
Method Summary
Modifier and TypeMethodDescriptionvoid
int[]
int
getBondIndex
(int j) getBondTo
(int iAtom) int
toString()
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Field Details
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atom
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sType
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coord
public double[] coord -
force
public double[] force -
nBonds
public int nBonds -
bsVdw
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partialCharge
public double partialCharge -
ffAtomType
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ffType
public int ffType -
vdwKey
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bs14
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Method Details