IPotentialIPotentialAtomicMultibody, IPotentialAtomicSecondDerivative, IPotentialTorque, Potential2Soft, Potential2Spherical, PotentialHard, PotentialSoft, PotentialTruncatedEwaldSummation, EwaldSummation.P2EwaldReal, P1Constraint, P1ConstraintNbr, P1ConstraintNbrHcp, P1HardBoundary, P1HardMovingBoundary, P1HardPeriodic, P1HardWall, P1Harmonic, P1HarmonicSite, P1HydrogenMielke.P1HydrogenMielkeAtomic, P1HydrogenMielke.P2HydrogenMielkeAtomic, P1ImageHarmonic, P1IntraLambda, P1LepsHarmonic, P1MagicWall, P1MagneticField, P1Sinusoidal, P1Smash, P1SoftBoundary, P1Tension, P1Tether, P1Wall, P1Wall, P1Wall, P1WCAPorousWall, P1WCAWall, P1WCAWall, P1WCAWall, P2Anharmonic, P2ArgonAziz1993, P2ArgonSlavicekEtAl2003, P2ArgonTangAndToennies2003, P2CO2H2OWheatley, P2CO2H2OWheatley.P2CO2H2OSC, P2CO2H2OWheatley.P2CO2H2OSCTI, P2CO2Hellmann, P2CO2Hellmann.P2CO2SC, P2Cohesion, P2DiscreteFeynmanHibbs, P2DiscreteFeynmanHibbs.P2HeEmpericalQuantum, P2DoubleWell, P2Dreiding, P2EAM, P2EffectiveFeynmanHibbs, P2Electrostatic, P2ElectrostaticWithHardCore, P2Exp6, P2Exp6Buckingham, P2Fene, P2HardAssociation, P2HardAssociationCone, P2HardAssociationConeDoubleSites, P2HardAssociationConeFourSites, P2HardAssociationConeFourSitesSW, P2HardAssociationConeOneSite, P2HardAssociationConeReference, P2HardAssociationConeReferenceFourSites, P2HardAssociationConeSW, P2HardBond, P2HardBondedList, P2HardSphere, P2HardSphereCavity, P2HardSphereMC, P2HardSpherePoly, P2HardWrapper, P2Harmonic, P2HC2Yukawa, P2HePCJS, P2HePCKLJS, P2HePCKLJS.P2HeQFH, P2HePCKLJS.P2HeTI, P2HeSimplified, P2HeSimplified.P2HeQFH, P2HeSimplified.P2HeTI, P2HydrogenHinde.P2HydrogenHindeAtomic, P2HydrogenHindeAtomic, P2HydrogenHindePatkowski.P2HydrogenHindePatkowskiAtomic, P2HydrogenHindePatkowskiAtomic, P2HydrogenPatkowski.P2HydrogenPatkowskiAtomic, P2HydrogenPatkowskiAtomic, P2HydrogenPatkowskiIso, P2Ideal, P2LennardJones, P2LennardJonesDreiding, P2LJQ, P2LJQQ, P2ModifiedMorse, P2Morse, P2NitrogenHellmann, P2NitrogenHellmann.P2N2QFH, P2O2Bartolomei, P2O2Bartolomei.P2O2TI, P2PenetrableBond, P2PenetrableSphere, P2PenetrableSquareWell, P2QChemInterpolated, P2RepRowley, P2RoughSphere, P2SemiclassicalAtomic, P2SoftSphere, P2SoftSphericalTruncated, P2SoftSphericalTruncated.P0Lrc, P2SoftSphericalTruncatedForceShifted, P2SoftSphericalTruncatedShifted, P2SoftSphericalTruncatedSwitched, P2SoftTruncated, P2SpheroPolyhedron, P2Spin, P2Spin, P2SquareWell, P2SquareWellBonded, P2SquareWellBonded, P2SquareWellBonding, P2SquareWellBondingCO, P2SquareWellMonomer, P2SquareWellOneSide, P2SquareWellRadical, P2SquareWellRobust, P2SquareWellSurface, P2Tether, P2TriangleWell, P2WaterPotentialsJankowski, P2WaterSzalewicz, P2WaterSzalewicz.P2H2OSC, P2WCA, P2WCAP, P2XOrder, P2Yukawa, P3AxilrodTeller, P3BondAngle, P3BondAngleDreiding, P3CPSNonAdditiveHe, P3CPSNonAdditiveHeLessSimplified, P3CPSNonAdditiveHeOrig, P3CPSNonAdditiveHeSimplified, P3HydrogenATM.P3HydrogenAtomic, P3Induction, P3NitrogenHellmannNonAdditive, P4BondTorsion, P4BondTorsionAlkaneXCCH, P4BondTorsionOPLS, P4TorsionDreiding, Potential, Potential0, Potential0Lrc, Potential1, Potential2, Potential2HardSpherical, Potential2SoftSpherical, Potential2SoftSphericalLS, Potential2SoftSphericalLSMulti, Potential2SoftSphericalLSMultiLat, Potential2SoftSphericalLSMultiLatSlanty, PotentialAtomicSum, PotentialCommonAtomic, PotentialCuLREP, PotentialDepletion, PotentialEAM, PotentialEAM_LS, PotentialEFS, PotentialNpublic interface IPotentialAtomic extends IPotential
| Modifier and Type | Method | Description |
|---|---|---|
double |
energy(IAtomList atoms) |
Returns the interaction energy between the given atoms.
|
getRange, nBody, setBoxdouble energy(IAtomList atoms)