This is the complete list of members for LAMMPSPot, including all inherited members.
| applySetforce(long N) | LAMMPSPot | private |
| cauchyStress() const override | LAMMPSPot | inlinevirtual |
| cleanMemory() | LAMMPSPot | |
| clonePotential() const | eonc::Potential | inlinevirtual |
| computesStress() const noexcept override | LAMMPSPot | inlinevirtual |
| drainLammpsScreen() | LAMMPSPot | private |
| ensureWorker() | LAMMPSPot | private |
| finiteCutoff() const noexcept | eonc::Potential | inlinevirtual |
| fixedMask_ | LAMMPSPot | private |
| force(long N, const double *R, const int *atomicNrs, double *F, double *U, double *variance, const double *box) override | LAMMPSPot | virtual |
| eonc::Potential::force(std::span< const double > positions, std::span< const int > atomicNrs, std::span< double > forces, double *energy, double *variance, std::span< const double > box) | eonc::Potential | inline |
| force_serial_ | eonc::Potential | private |
| 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::Potential | inlinevirtual |
| forceBatchOwned(long nSystems, long nAtoms, const double *const *positions, const int *const *atomicNrs, double *const *forces, double *energies, double *variances, const double *const *boxes, const long *owners) | eonc::Potential | inlinevirtual |
| forceCallCounter | eonc::Potential | |
| forceLocal(long N, const double *R, const int *atomicNrs, double *F, double *U, const double *box) | LAMMPSPot | private |
| get_ef(const AtomMatrix &pos, const VectorXi &atmnrs, const Matrix3d &box) | eonc::Potential | |
| getType() const | eonc::Potential | inline |
| haveStress_ | LAMMPSPot | private |
| isSharedInstanceThreadSafe() const noexcept | eonc::Potential | inlinevirtual |
| isSurrogate() const noexcept | eonc::Potential | inlinevirtual |
| isThreadSafe() const noexcept | eonc::Potential | inlinevirtual |
| lammpsCommand(const char *cmd) | LAMMPSPot | private |
| lammpsLogging_ | LAMMPSPot | private |
| lammpsLogIndex_ | LAMMPSPot | private |
| LAMMPSObj | LAMMPSPot | private |
| LAMMPSPot(const eonc::Parameters &p) | LAMMPSPot | explicit |
| LAMMPSPot(const eonc::Parameters &p, eonc::ILammpsLoader &loader) | LAMMPSPot | |
| LAMMPSPot(const eonc::Parameters &p, eonc::ILammpsLoader &loader, bool isolate_worker) | LAMMPSPot | private |
| lammpsScreenPath_ | LAMMPSPot | private |
| lammpsScreenPos_ | LAMMPSPot | private |
| lammpsScreenRestart_ | LAMMPSPot | private |
| lammpsThr | LAMMPSPot | private |
| layoutFlags() const noexcept | eonc::Potential | inlinevirtual |
| loader_ | LAMMPSPot | private |
| m_created_at | eonc::Potential | private |
| m_registry_id | eonc::Potential | private |
| makeNewLAMMPS(long N, const double *R, const int *atomicNrs, const double *box) | LAMMPSPot | private |
| maskMutex_ | LAMMPSPot | private |
| maskN_ | LAMMPSPot | private |
| needsPerImageInstance() const noexcept override | LAMMPSPot | inlinevirtual |
| noteScreenGeometry(long N, const double *box) | LAMMPSPot | private |
| numberOfAtoms | LAMMPSPot | private |
| oldBox | LAMMPSPot | private |
| Potential(PotType a_ptype) | eonc::Potential | explicit |
| Potential(PotType a_ptype, IPotRegistry ®istry) | eonc::Potential | inline |
| Potential(PotType a_ptype, const Parameters &p) | eonc::Potential | |
| Potential(const Parameters &a_params) | eonc::Potential | explicit |
| PotLayout enum name | eonc::Potential | |
| ptype | eonc::Potential | protected |
| realunits | LAMMPSPot | private |
| registry_ | eonc::Potential | private |
| reqFd | LAMMPSPot | private |
| requiresIsolatedMoleculeLayout() const noexcept | eonc::Potential | inlinevirtual |
| resFd | LAMMPSPot | private |
| runWorkerLoop() | LAMMPSPot | private |
| screenAtoms_ | LAMMPSPot | private |
| screenBox_ | LAMMPSPot | private |
| screenHaveGeom_ | LAMMPSPot | private |
| setFixedMask(long nAtoms, const double *isFixed) override | LAMMPSPot | virtual |
| stopWorker() | LAMMPSPot | private |
| stress_ | LAMMPSPot | private |
| supportsBatchEvaluation() const noexcept | eonc::Potential | inlinevirtual |
| workerChild_ | LAMMPSPot | private |
| workerMutex | LAMMPSPot | private |
| workerPid | LAMMPSPot | private |
| workerRespawnsLeft | LAMMPSPot | private |
| workerSpawned | LAMMPSPot | private |
| ~LAMMPSPot() | LAMMPSPot | |
| ~Potential() | eonc::Potential | inlinevirtual |