Package etomica.spin.heisenberg

Class PotentialCalculationFreeEnergy

java.lang.Object

etomica.spin.heisenberg.PotentialCalculationFreeEnergy

All Implemented Interfaces:

PotentialCalculation

public class PotentialCalculationFreeEnergy
extends java.lang.Object
implements PotentialCalculation

Anx expressions for computing v_E and v_EE in the mapping.

Field Summary

Fields

Modifier and Type	Field	Description
protected double	bJ
protected double	bmu
protected double	bt
protected Vector	ei
protected Vector	ej
protected double	J
protected AtomLeafAgentManager<MoleculeAgent>	leafAgentManager
protected double	mu
protected double	U_Map

Constructor Summary

Constructors

Constructor	Description
PotentialCalculationFreeEnergy(Space space, double dipoleMagnitude, double interactionS, double beta, AtomLeafAgentManager<MoleculeAgent> leafAgentManager)

Method Summary

Modifier and Type	Method	Description
void	doCalculation(IAtomList atoms, IPotentialAtomic potential)	Method giving the specific calculation performed by this class.
double	getSumU_Map()
void	zeroSum()

Methods inherited from class java.lang.Object

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

Field Detail

ei

protected Vector ei

ej

protected Vector ej

U_Map

protected double U_Map

mu

protected final double mu

J

protected final double J

bt

protected final double bt

bJ

protected final double bJ

bmu

protected final double bmu

leafAgentManager

protected AtomLeafAgentManager<MoleculeAgent> leafAgentManager

Constructor Detail

PotentialCalculationFreeEnergy

public PotentialCalculationFreeEnergy(Space space,
                                      double dipoleMagnitude,
                                      double interactionS,
                                      double beta,
                                      AtomLeafAgentManager<MoleculeAgent> leafAgentManager)

Method Detail

doCalculation

public void doCalculation(IAtomList atoms,
                          IPotentialAtomic potential)

Description copied from interface: PotentialCalculation

Method giving the specific calculation performed by this class.

Specified by:

doCalculation in interface PotentialCalculation

Parameters:

atoms - IAtomSet the atom sets for which the calculation is performed.

potential - The potential used to apply the action defined by this class.

zeroSum

public void zeroSum()

getSumU_Map

public double getSumU_Map()