Package etomica.potential

Interface Potential2Soft

All Superinterfaces:

IPotential, IPotentialAtomic, Potential2Spherical, PotentialSoft

All Known Implementing Classes:

P2Anharmonic, P2ArgonAziz1993, P2ArgonSlavicekEtAl2003, P2ArgonTangAndToennies2003, P2Cohesion, P2DiscreteFeynmanHibbs.P2HeEmpericalQuantum, P2Dreiding, P2Electrostatic, P2ElectrostaticWithHardCore, P2Exp6, P2Exp6Buckingham, P2Fene, P2HardAssociationConeDoubleSites, P2HardAssociationConeFourSites, P2HardAssociationConeOneSite, P2Harmonic, P2HC2Yukawa, P2HePCJS, P2HePCKLJS, P2HeSimplified, P2HydrogenPatkowskiIso, P2Ideal, P2LennardJones, P2LennardJonesDreiding, P2LJQ, P2LJQQ, P2ModifiedMorse, P2Morse, P2QChemInterpolated, P2RepRowley, P2SoftSphere, P2SoftSphericalTruncated, P2SoftSphericalTruncated.P0Lrc, P2SoftSphericalTruncatedForceShifted, P2SoftSphericalTruncatedShifted, P2SoftTruncated, P2WCA, P2Yukawa, Potential2SoftSpherical

public interface Potential2Soft
extends PotentialSoft, Potential2Spherical

Methods for properties obtained for a soft, differentiable pair potential.

Method Summary

Modifier and Type	Method	Description
double	du(double r2)	The derivative of the pair energy, times the separation r: r du/dr.
double	hyperVirial(IAtomList pair)	Hypervirial of the pair as given by the du(double) and d2u(double) methods
double	integral(double rC)	Integral used to evaluate correction to truncation of potential.

Methods inherited from interface etomica.potential.IPotential

getRange, nBody, setBox

Methods inherited from interface etomica.potential.IPotentialAtomic

energy

Methods inherited from interface etomica.potential.Potential2Spherical

u

Methods inherited from interface etomica.potential.PotentialSoft

gradient, gradient, virial

Method Detail

hyperVirial

double hyperVirial(IAtomList pair)

Hypervirial of the pair as given by the du(double) and d2u(double) methods

integral

double integral(double rC)

Integral used to evaluate correction to truncation of potential.

du

double du(double r2)

The derivative of the pair energy, times the separation r: r du/dr.