Package etomica.models.water

Class P2WaterTIP4P

java.lang.Object

etomica.potential.PotentialMolecular

etomica.models.water.P2Water4P

etomica.models.water.P2WaterTIP4P

All Implemented Interfaces:

IPotential, IPotentialMolecular

public class P2WaterTIP4P
extends P2Water4P

TIP4P potential for water. All the real work happens in P2Water4P.

Field Summary

Fields

Modifier and Type	Field	Description
static double	e
static double	qH
static double	s

Fields inherited from class etomica.models.water.P2Water4P

boundary, chargeH, chargeHH, chargeM, chargeMH, chargeMM, com1, com2, epsilon, epsilon4, positionDefinition, rCut, shift, sigma, sigma2, work

Fields inherited from class etomica.potential.PotentialMolecular

nBody, space

Constructor Summary

Constructors

Constructor	Description
P2WaterTIP4P(Space space)
P2WaterTIP4P(Space space, double rCut)

Method Summary

Modifier and Type	Method	Description
double	getChargeH()
double	getChargeM()
double	getEpsilon()
double	getRange()	Returns the range over which the potential applies.
double	getSigma()

Methods inherited from class java.lang.Object

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

Methods inherited from class etomica.models.water.P2Water4P

energy, setBox

Methods inherited from class etomica.potential.PotentialMolecular

nBody

Field Detail

s

public static double s

e

public static double e

qH

public static double qH

Constructor Detail

P2WaterTIP4P

public P2WaterTIP4P(Space space)

P2WaterTIP4P

public P2WaterTIP4P(Space space,
                    double rCut)

Method Detail

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

Overrides:

getRange in class P2Water4P

getSigma

public double getSigma()

Overrides:

getSigma in class P2Water4P

getEpsilon

public double getEpsilon()

Overrides:

getEpsilon in class P2Water4P

getChargeM

public double getChargeM()

getChargeH

public double getChargeH()