meshi.energy.RG
Class RgEnergy

java.lang.Object
  meshi.energy.AbstractEnergy
      meshi.energy.CooperativeEnergyTerm
          meshi.energy.RG.RgEnergy

All Implemented Interfaces:

Attributable, Updateable

public class RgEnergy
extends CooperativeEnergyTerm

Nested Class Summary

Nested classes/interfaces inherited from class meshi.energy.AbstractEnergy

AbstractEnergy.UpdateableList

Field Summary

Fields inherited from class meshi.energy.CooperativeEnergyTerm

atomList, coordinates, dm, DX, parameters, relativeDiffTolerance, verySmall, XYZ

Fields inherited from class meshi.energy.AbstractEnergy

comment, filter, INFINITY, NaN, on, updateableResources, weight

Constructor Summary

RgEnergy()

RgEnergy(AtomList atomList, DistanceMatrix dm, double weight)

Method Summary

double	evaluate() Evaluates the energy term and update the derivatives.
void	evaluateAtoms() Evaluates the energy term and devides the energy between the atoms.
void	update(int numberOfUpdates) Updates the updatable resources.

Methods inherited from class meshi.energy.CooperativeEnergyTerm

test

Methods inherited from class meshi.energy.AbstractEnergy

addAttribute, comment, getAttribute, handleMissingParameters, isOn, off, on, toArray, toArray, toArray, toArray, toString

Methods inherited from class java.lang.Object

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

Constructor Detail

RgEnergy

public RgEnergy()

RgEnergy

public RgEnergy(AtomList atomList,
                DistanceMatrix dm,
                double weight)

Method Detail

update

public void update(int numberOfUpdates)

Description copied from class: AbstractEnergy

Updates the updatable resources. For a detailed description of MESHI's treatment of updatable resources see the documentation of TotalEnergy.

Specified by:

update in interface Updateable

Overrides:

update in class AbstractEnergy

evaluateAtoms

public void evaluateAtoms()

Description copied from class: AbstractEnergy

Evaluates the energy term and devides the energy between the atoms. The energy field of each atom is assigned a value - its contribution to the total energy sum.

Specified by:

evaluateAtoms in class AbstractEnergy

evaluate

public double evaluate()

Description copied from class: AbstractEnergy

Evaluates the energy term and update the derivatives.

Specified by:

evaluate in class AbstractEnergy