Package etomica.models.water

Class P2WaterTIP4PSoft

java.lang.Object

etomica.potential.PotentialMolecular

etomica.models.water.P2Water4P

etomica.models.water.P2Water4PSoft

etomica.models.water.P2WaterTIP4PSoft

All Implemented Interfaces:

IPotential, IPotentialMolecular, IPotentialMolecularSecondDerivative, IPotentialMolecularTorque, PotentialMolecularSoft

public class P2WaterTIP4PSoft
extends P2Water4PSoft

TIP4P potential for water. All the real work is done in P2Water4P.

Nested Class Summary

Nested classes/interfaces inherited from class etomica.models.water.P2Water4PSoft

P2Water4PSoft.AtomicTensorAtomicPair

Field Summary

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.models.water.P2Water4PSoft

a, centerMass, dr, dr0, dr1, epsilon48, fWork, gradient, gradientAndTorque, rotationTensor3D, secondDerivative, tau, tmpDrr, tmpSecondD, tmpTensor, torque

Fields inherited from class etomica.potential.PotentialMolecular

nBody, space

Constructor Summary

Constructors

Constructor	Description
P2WaterTIP4PSoft(Space space, double rCut, IMoleculePositionDefinition positionDefinition)

Method Summary

Methods inherited from interface etomica.potential.IPotential

nBody, setBox

Methods inherited from interface etomica.potential.IPotentialMolecular

energy

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.models.water.P2Water4PSoft

atomicToMolecularD, doRotation, doTransform, getChargeH, getChargeM, getEpsilon, getRange, getSigma, gradient, gradient, gradientAndTorque, pairForce, secondDerivative, virial

Methods inherited from class etomica.potential.PotentialMolecular

nBody

Constructor Detail

P2WaterTIP4PSoft

public P2WaterTIP4PSoft(Space space,
                        double rCut,
                        IMoleculePositionDefinition positionDefinition)