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occ
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Classes | |
| struct | occ::qm::SCFConvergenceSettings |
Namespaces | |
| namespace | occ |
| namespace | occ::qm |
| quantum mechanics/quantum chemistry functionality including Hartree-Fock and more | |
Enumerations | |
| enum class | occ::qm::DiisStrategy { occ::qm::CDIIS , occ::qm::EDIIS_CDIIS , occ::qm::ADIIS_CDIIS } |
| Strategy for DIIS extrapolation during SCF. More... | |