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