Package etomica.spin.heisenberg

Class PotentialCalculationMoleculeAgentSumMinusIdeal

java.lang.Object

etomica.spin.heisenberg.PotentialCalculationMoleculeAgentSumMinusIdeal

All Implemented Interfaces:

PotentialCalculation

public class PotentialCalculationMoleculeAgentSumMinusIdeal
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 int	nMax

Constructor Summary

Constructors

Constructor	Description
PotentialCalculationMoleculeAgentSumMinusIdeal(Space space, double dipoleMagnitude, double interactionS, double beta, int nMax, 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.
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

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

nMax

protected int nMax

leafAgentManager

protected AtomLeafAgentManager<MoleculeAgent> leafAgentManager

Constructor Detail

PotentialCalculationMoleculeAgentSumMinusIdeal

public PotentialCalculationMoleculeAgentSumMinusIdeal(Space space,
                                                      double dipoleMagnitude,
                                                      double interactionS,
                                                      double beta,
                                                      int nMax,
                                                      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()