This is the complete list of members for CatLearnPot, including all inherited members.
| CatLearnPot(const Parameters &a_params) | CatLearnPot | |
| force(long nAtoms, const double *positions, const int *atomicNrs, double *forces, double *energy, double *variance, const double *box) override | CatLearnPot | 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 | |
| get_ef(const AtomMatrix &pos, const VectorXi &atmnrs, const Matrix3d &box) | eonc::Potential | |
| get_ef_var(const AtomMatrix pos, const VectorXi atmnrs, const Matrix3d box) | eonc::SurrogatePotential | |
| getType() const | eonc::Potential | inline |
| isSharedInstanceThreadSafe() const noexcept | eonc::Potential | inlinevirtual |
| isSurrogate() const noexcept override | eonc::SurrogatePotential | inlinevirtual |
| isThreadSafe() const noexcept override | CatLearnPot | inlinevirtual |
| m_created_at | eonc::Potential | private |
| m_gpmod | CatLearnPot | |
| m_registry_id | eonc::Potential | private |
| needsPerImageInstance() const noexcept | eonc::Potential | inlinevirtual |
| 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 |
| requiresIsolatedMoleculeLayout() const noexcept | eonc::Potential | inlinevirtual |
| supportsBatchEvaluation() const noexcept | eonc::Potential | inlinevirtual |
| SurrogatePotential(PotType a_ptype, const Parameters &a_params) | eonc::SurrogatePotential | inline |
| train_optimize(const MatrixXd &features, const MatrixXd &targets) override | CatLearnPot | virtual |
| variance | CatLearnPot | |
| ~Potential() | eonc::Potential | inlinevirtual |
| ~SurrogatePotential()=default | eonc::SurrogatePotential | virtual |