IPotentialIPotential0MoleculeLrc, IPotentialMolecularSecondDerivative, IPotentialMolecularTorque, PotentialMolecularSoftEwaldSumMolecules, P0LatticeEnergyCorrec, P1ExternalField, P22CLJmuQ, P22CLJQ, P2AceticAcidTwoSite, P2CO2EMP, P2CO2EMP1, P2CO2EMP2, P2CO2TraPPE, P2DLPOLY, P2HardAssociationGCPMReference, P2HardAssociationRefAceticAcidTwoSite, P2HSDipole, P2HSPolymer, P2HydrogenHinde.P2HydrogenHindeMolecular, P2HydrogenPatkowski.P2HydrogenPatkowskiMolecular, P2LJDipole, P2LJDipole, P2MoleculeMonatomic, P2MoleculeSoftTruncatedSwitched, P2MoleculeTruncated, P2Nitrogen, P2NitrogenAB, P2NitrogenAnisotropic, P2NitrogenShellModel, P2QChem, P2ReactionFieldDipole, P2ReactionFieldDipoleTruncated, P2ReactionFieldDipoleTruncated.P0ReactionField, P2SemiclassicalMolecular, P2Water3P, P2Water3PSoft, P2Water4P, P2Water4PSoft, P2WaterSPC, P2WaterSPCE, P2WaterSPCSoft, P2WaterTIP4P, P2WaterTIP4PHardCore, P2WaterTIP4PSoft, P3HydrogenGarberoglioMolecular, P3HydrogenManzhos.P3HydrogenManzhosMolecular, PNCO2GCPM, PNCO2GCPM.P3GCPMAxilrodTeller, PNGCPM, PNGCPM.P3GCPMAxilrodTeller, PNGCPM.PNGCPMCached, PNGCPMX, PNWaterGCPM, PNWaterGCPM.PNWaterGCPMCached, PNWaterGCPMReactionField, PNWaterGCPMThreeSite, PotentialDLPOLY, PotentialEmul, PotentialEmulCached, PotentialGroup, PotentialGroup3PI, PotentialGroup3PI.PotentialGroup3PISkip, PotentialGroupHybrid, PotentialGroupNbr, PotentialGroupPI, PotentialGroupPI.PotentialGroupPISkip, PotentialGroupSoft, PotentialMolecular, PotentialMolecularMonatomic, PotentialMolecularSum, PotentialNonAdditive, PotentialNonAdditive.PotentialNonAdditiveNB, PotentialNonAdditiveDifference, PRotConstraint, VirialB2WaterTIP4P_DHS_difference.P2WaterDHSpublic interface IPotentialMolecular extends IPotential
| Modifier and Type | Method | Description |
|---|---|---|
double |
energy(IMoleculeList molecules) |
Returns the interaction energy between the given atoms.
|
getRange, nBody, setBoxdouble energy(IMoleculeList molecules)