Package etomica.virial.simulations

Class VirialB2WaterTIP4P_DHS_difference.P2WaterDHS

java.lang.Object

etomica.potential.PotentialMolecular

etomica.virial.simulations.VirialB2WaterTIP4P_DHS_difference.P2WaterDHS

All Implemented Interfaces:

IPotential, IPotentialMolecular

Enclosing class:

VirialB2WaterTIP4P_DHS_difference

public static class VirialB2WaterTIP4P_DHS_difference.P2WaterDHS
extends PotentialMolecular

Field Summary

Fields

Modifier and Type	Field	Description
protected Boundary	boundary
double	sigma
double	sigmaHS2

Fields inherited from class etomica.potential.PotentialMolecular

nBody, space

Constructor Summary

Constructors

Constructor	Description
P2WaterDHS(Space space, double sigma, double mu)

Method Summary

Modifier and Type	Method	Description
double	energy(IMoleculeList pair)	Returns the interaction energy between the given molecules.
Vector	getDipole1()
Vector	getDipole2()
double	getRange()	Returns the range over which the potential applies.
double	getSigma()
void	setBox(Box box)	Informs the potential of the box on which it acts.

Methods inherited from class java.lang.Object

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

Methods inherited from class etomica.potential.PotentialMolecular

nBody

Field Detail

sigma

public double sigma

sigmaHS2

public double sigmaHS2

boundary

protected Boundary boundary

Constructor Detail

P2WaterDHS

public P2WaterDHS(Space space,
                  double sigma,
                  double mu)

Method Detail

setBox

public void setBox(Box box)

Description copied from class: PotentialMolecular

Informs the potential of the box on which it acts. Typically this requires at least that it update the nearestImageTransformer of its coordinatePair (if it uses one), e.g.: cPair.setNearestImageTransformer(box.boundary());

Specified by:

setBox in interface IPotential

Specified by:

setBox in class PotentialMolecular

energy

public double energy(IMoleculeList pair)

Description copied from class: PotentialMolecular

Returns the interaction energy between the given molecules. There might be 0, 1, 2 or more atoms in the IMoleculeList.

Specified by:

energy in interface IPotentialMolecular

Specified by:

energy in class PotentialMolecular

getRange

public double getRange()

Description copied from interface: IPotential

Returns the range over which the potential applies. IAtoms with a greater separation do not interact.

Specified by:

getRange in interface IPotential

Specified by:

getRange in class PotentialMolecular

getDipole1

public Vector getDipole1()

getDipole2

public Vector getDipole2()

getSigma

public double getSigma()