meshi.symmetryComplex.energy.edmEnergy
Class EDMEnergyElement

java.lang.Object
  meshi.energy.EnergyElement
      meshi.symmetryComplex.energy.edmEnergy.EDMEnergyElement

public class EDMEnergyElement
extends EnergyElement

Field Summary

private Atom	atom
private EDMEnergyParameters	ep
private double	weight

Fields inherited from class meshi.energy.EnergyElement

atoms, dFormatSrt, dFormatStd, DX, frozen, relativeDiffTolerance, VERY_SMALL, XYZ

Constructor Summary

EDMEnergyElement(Atom atom, EDMEnergyParameters ep, double weight)

Method Summary

double	evaluate()
protected void	setAtoms()

Methods inherited from class meshi.energy.EnergyElement

atoms, evaluateAtoms, frozen, test, updateFrozen

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

atom

private Atom atom

ep

private EDMEnergyParameters ep

weight

private double weight

Constructor Detail

EDMEnergyElement

public EDMEnergyElement(Atom atom,
                        EDMEnergyParameters ep,
                        double weight)

Method Detail

evaluate

public double evaluate()

Specified by:

evaluate in class EnergyElement

setAtoms

protected void setAtoms()

Specified by:

setAtoms in class EnergyElement