This is the complete list of members for VASP, including all inherited members.
| cleanMemory(void) | VASP | |
| clearHandshakeFiles() | VASP | privatestatic |
| firstRun | VASP | privatestatic |
| force(long N, const double *R, const int *atomicNrs, double *F, double *U, double *variance, const double *box) | VASP | 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 | |
| getType() const | eonc::Potential | inline |
| initialize() | VASP | inline |
| isSharedInstanceThreadSafe() const noexcept | eonc::Potential | inlinevirtual |
| isSurrogate() const noexcept | eonc::Potential | inlinevirtual |
| isThreadSafe() const noexcept override | VASP | inlinevirtual |
| m_created_at | eonc::Potential | private |
| m_registry_id | eonc::Potential | private |
| needsPerImageInstance() const noexcept override | VASP | 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 |
| readFU(long N, double *F, double *U) | VASP | private |
| removeStaleFiles() | VASP | static |
| requiresIsolatedMoleculeLayout() const noexcept | eonc::Potential | inlinevirtual |
| spawnVASP() | VASP | private |
| supportsBatchEvaluation() const noexcept | eonc::Potential | inlinevirtual |
| VASP(const Parameters &p) | VASP | inline |
| vaspPID | VASP | privatestatic |
| vaspRunCount | VASP | privatestatic |
| vaspRunning() | VASP | private |
| writePOSCAR(long N, const double *R, const int *atomicNrs, const double *box) | VASP | private |
| ~Potential() | eonc::Potential | inlinevirtual |
| ~VASP() | VASP | inline |