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LAMMPSPot Member List

This is the complete list of members for LAMMPSPot, including all inherited members.

cleanMemory()LAMMPSPot
ensureWorker()LAMMPSPotprivate
force(long N, const double *R, const int *atomicNrs, double *F, double *U, double *variance, const double *box) overrideLAMMPSPotvirtual
forceBatch(long nSystems, long nAtoms, const double *const *positions, const int *const *atomicNrs, double *const *forces, double *energies, double *variances, const double *const *boxes)eonc::Potentialinlinevirtual
forceCallCountereonc::Potential
forceLocal(long N, const double *R, const int *atomicNrs, double *F, double *U, const double *box)LAMMPSPotprivate
get_ef(const AtomMatrix &pos, const VectorXi &atmnrs, const Matrix3d &box)eonc::Potential
getType() consteonc::Potentialinline
isSharedInstanceThreadSafe() const noexcepteonc::Potentialinlinevirtual
isSurrogate() const noexcepteonc::Potentialinlinevirtual
isThreadSafe() const noexcepteonc::Potentialinlinevirtual
LAMMPSObjLAMMPSPotprivate
LAMMPSPot(const Parameters &p)LAMMPSPot
lammpsThrLAMMPSPotprivate
m_created_ateonc::Potentialprivate
m_registry_ideonc::Potentialprivate
makeNewLAMMPS(long N, const double *R, const int *atomicNrs, const double *box)LAMMPSPotprivate
needsPerImageInstance() const noexcept overrideLAMMPSPotinlinevirtual
numberOfAtomsLAMMPSPotprivate
oldBoxLAMMPSPotprivate
Potential(PotType a_ptype)eonc::Potentialinlineexplicit
Potential(PotType a_ptype, const Parameters &)eonc::Potentialinline
Potential(const Parameters &a_params)eonc::Potentialinline
ptypeeonc::Potentialprotected
realunitsLAMMPSPotprivate
reqFdLAMMPSPotprivate
requiresIsolatedMoleculeLayout() const noexcepteonc::Potentialinlinevirtual
resFdLAMMPSPotprivate
runWorkerLoop()LAMMPSPotprivate
stopWorker()LAMMPSPotprivate
supportsBatchEvaluation() const noexcepteonc::Potentialinlinevirtual
workerMutexLAMMPSPotprivate
workerPidLAMMPSPotprivate
workerRespawnsLeftLAMMPSPotprivate
workerSpawnedLAMMPSPotprivate
~LAMMPSPot()LAMMPSPot
~Potential()eonc::Potentialinlinevirtual