org.jmol.minimize.forcefield
public class ForceFieldUFF extends ForceField
Constructor and Description |
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ForceFieldUFF() |
Modifier and Type | Method and Description |
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List<String[]> |
getAtomTypes() |
protected Map<String,FFParam> |
getFFParameters() |
void |
setModel(Minimizer m) |
detectExplosion, energyAngle, energyBond, energyES, energyFull, energyOOP, energyStrBnd, energyTorsion, energyVDW, getAtomList, getCurrentStep, getEnergy, getEnergyDiff, getLogData, getNormalizedDE, setConstraints, setup, steepestDescentInitialize, steepestDescentTakeNSteps
public void setModel(Minimizer m)
setModel
in class ForceField
protected Map<String,FFParam> getFFParameters()
getFFParameters
in class ForceField
public List<String[]> getAtomTypes()
getAtomTypes
in class ForceField