This is the complete list of members for AMS, including all inherited members.
| AMS(const Parameters &p) | AMS | |
| amsevals | AMS | private |
| basis | AMS | private |
| can_restart | AMS | private |
| cjob | AMS | private |
| cleanMemory(void) | AMS | |
| copyForces(long N, const std::vector< double > &frc, double *F) | AMS | private |
| energyConversion | AMS | private |
| engine | AMS | private |
| engine_lower | AMS | private |
| engine_setup | AMS | private |
| extract_cartesian_rkf(std::string key) | AMS | private |
| extract_rkf(long N, std::string key) | AMS | private |
| extract_scalar_rkf(std::string key) | AMS | private |
| finishRunScript(std::ofstream &out) | AMS | private |
| first_run | AMS | private |
| force(long N, const double *R, const int *atomicNrs, double *F, double *U, double *variance, const double *box) | AMS | virtual |
| 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 |
| forceCallCounter | eonc::Potential | |
| forceConversion | AMS | private |
| forcefield | AMS | private |
| generate_run(const Parameters &p) | AMS | private |
| get_ef(const AtomMatrix &pos, const VectorXi &atmnrs, const Matrix3d &box) | eonc::Potential | |
| getType() const | eonc::Potential | inline |
| initialize() | AMS | inline |
| isSharedInstanceThreadSafe() const noexcept | eonc::Potential | inlinevirtual |
| isSurrogate() const noexcept | eonc::Potential | inlinevirtual |
| isThreadSafe() const noexcept | eonc::Potential | inlinevirtual |
| lengthConversion | AMS | private |
| m_created_at | eonc::Potential | private |
| m_registry_id | eonc::Potential | private |
| model | AMS | private |
| nativenv | AMS | private |
| needsPerImageInstance() const noexcept | eonc::Potential | inlinevirtual |
| passToSystem(long N, const double *R, const int *atomicNrs, const double *box) | AMS | private |
| pjob | AMS | private |
| Potential(PotType a_ptype) | eonc::Potential | inlineexplicit |
| Potential(PotType a_ptype, const Parameters &) | eonc::Potential | inline |
| Potential(const Parameters &a_params) | eonc::Potential | inline |
| ptype | eonc::Potential | protected |
| readFile(std::filesystem::path path) | AMS | private |
| recieveFromSystem(long N, double *F, double *U) | AMS | private |
| requiresIsolatedMoleculeLayout() const noexcept | eonc::Potential | inlinevirtual |
| resources | AMS | private |
| restartFrom | AMS | private |
| runAMS() | AMS | private |
| smallSys(long N, const double *R, const int *atomicNrs, const double *box) | AMS | private |
| supportsBatchEvaluation() const noexcept | eonc::Potential | inlinevirtual |
| switchjob() | AMS | private |
| updateCoord(long N, const double *R) | AMS | private |
| validate_order() | AMS | private |
| write_restart() | AMS | private |
| xc | AMS | private |
| ~AMS() | AMS | |
| ~Potential() | eonc::Potential | inlinevirtual |