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java.lang.Objectorg.jmol.minimize.forcefield.ForceField
org.jmol.minimize.forcefield.ForceFieldUFF
public class ForceFieldUFF
Field Summary |
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Fields inherited from class org.jmol.minimize.forcefield.ForceField |
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atomCount, atoms, bondCount, bonds, bsFixed, calc, currentStep, EANGLE, EBOND, EELECTROSTATIC, ENERGY, EOOP, ESTRBND, ETORSION, EVDW, minimizer |
Constructor Summary | |
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ForceFieldUFF()
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Method Summary | |
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java.util.List |
getAtomTypes()
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protected java.util.Hashtable |
getFFParameters()
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void |
setModel(Minimizer m)
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Methods inherited from class org.jmol.minimize.forcefield.ForceField |
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detectExplosion, energyAngle, energyBond, energyES, energyFull, energyOOP, energyStrBnd, energyTorsion, energyVDW, getAtomList, getCurrentStep, getEnergy, getEnergyDiff, getLogData, getNormalizedDE, setConstraints, setup, steepestDescentInitialize, steepestDescentTakeNSteps |
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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public ForceFieldUFF()
Method Detail |
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public void setModel(Minimizer m)
setModel
in class ForceField
protected java.util.Hashtable getFFParameters()
getFFParameters
in class ForceField
public java.util.List getAtomTypes()
getAtomTypes
in class ForceField
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