OpenMD 3.0
Molecular Dynamics in the Open
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OpenMD::EAM Member List

This is the complete list of members for OpenMD::EAM, including all inherited members.

addExplicitInteraction(AtomType *atype1, AtomType *atype2, RealType dr, int nr, std::vector< RealType > phiAB) (defined in OpenMD::EAM)OpenMD::EAM
addExplicitInteraction(AtomType *atype1, AtomType *atype2, RealType re, RealType alpha, RealType beta, RealType A, RealType B, RealType kappa, RealType lambda) (defined in OpenMD::EAM)OpenMD::EAM
addExplicitInteraction(AtomType *atype1, AtomType *atype2, RealType re, RealType alpha, RealType A, RealType Ci, RealType Cj) (defined in OpenMD::EAM)OpenMD::EAM
addType(AtomType *atomType) (defined in OpenMD::EAM)OpenMD::EAM
calcDensity(InteractionData &idat) (defined in OpenMD::EAM)OpenMD::EAMvirtual
calcForce(InteractionData &idat) (defined in OpenMD::EAM)OpenMD::EAMvirtual
calcFunctional(SelfData &sdat) (defined in OpenMD::EAM)OpenMD::EAMvirtual
EAM() (defined in OpenMD::EAM)OpenMD::EAM
fastPower(RealType x, int y) (defined in OpenMD::EAM)OpenMD::EAM
getFamily() (defined in OpenMD::MetallicInteraction)OpenMD::MetallicInteractioninlinevirtual
getHash() (defined in OpenMD::EAM)OpenMD::EAMinlinevirtual
getName() (defined in OpenMD::EAM)OpenMD::EAMinlinevirtual
getSuggestedCutoffRadius(pair< AtomType *, AtomType * > atypes) (defined in OpenMD::EAM)OpenMD::EAMvirtual
gFunc(RealType q, RealType nV, RealType nM) (defined in OpenMD::EAM)OpenMD::EAM
gPrime(RealType q, RealType nV, RealType nM) (defined in OpenMD::EAM)OpenMD::EAM
MetallicInteraction() (defined in OpenMD::MetallicInteraction)OpenMD::MetallicInteractioninline
NonBondedInteraction() (defined in OpenMD::NonBondedInteraction)OpenMD::NonBondedInteractioninline
Phi(RealType r, RealType re, RealType A, RealType B, RealType alpha, RealType beta, RealType kappa, RealType lambda) (defined in OpenMD::EAM)OpenMD::EAM
PhiCoreCore(RealType r, RealType re, RealType A, RealType alpha, RealType kappa) (defined in OpenMD::EAM)OpenMD::EAM
PhiCoreValence(RealType r, RealType re, RealType B, RealType beta, RealType lambda) (defined in OpenMD::EAM)OpenMD::EAM
Rho(RealType r, RealType re, RealType fe, RealType beta, RealType lambda) (defined in OpenMD::EAM)OpenMD::EAM
RoseFunctional(RealType rho, RealType rhoe, RealType F0) (defined in OpenMD::EAM)OpenMD::EAM
setCutoffRadius(RealType rCut) (defined in OpenMD::EAM)OpenMD::EAM
setElectrostatic(Electrostatic *el) (defined in OpenMD::EAM)OpenMD::EAMinline
setForceField(ForceField *ff) (defined in OpenMD::EAM)OpenMD::EAMinline
setSimulatedAtomTypes(AtomTypeSet &simtypes) (defined in OpenMD::EAM)OpenMD::EAMinline
Zhou2001Functional(RealType rho, RealType rhoe, std::vector< RealType > Fn, std::vector< RealType > F, RealType Fe, RealType eta) (defined in OpenMD::EAM)OpenMD::EAM
Zhou2004Functional(RealType rho, RealType rhoe, RealType rhos, std::vector< RealType > Fn, std::vector< RealType > F, RealType Fe, RealType eta, RealType rhol, RealType rhoh) (defined in OpenMD::EAM)OpenMD::EAM
Zhou2005Functional(RealType rho, RealType rhoe, RealType rhos, std::vector< RealType > Fn, std::vector< RealType > F, RealType F3plus, RealType F3minus, RealType Fe, RealType eta) (defined in OpenMD::EAM)OpenMD::EAM
Zhou2005OxygenFunctional(RealType rho, std::vector< RealType > OrhoLimits, std::vector< RealType > OrhoE, std::vector< std::vector< RealType > > OF) (defined in OpenMD::EAM)OpenMD::EAM
~MetallicInteraction() (defined in OpenMD::MetallicInteraction)OpenMD::MetallicInteractioninlinevirtual
~NonBondedInteraction() (defined in OpenMD::NonBondedInteraction)OpenMD::NonBondedInteractioninlinevirtual