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occ
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Namespaces | |
| namespace | occ |
| namespace | occ::qm |
| quantum mechanics/quantum chemistry functionality including Hartree-Fock and more | |
| namespace | occ::qm::cc |
Functions | |
| double | occ::qm::cc::ccsd_t (const Eigen::Tensor< double, 2 > &t1, const Eigen::Tensor< double, 4 > &t2, const CCIntegrals &eris) |
| Restricted closed-shell perturbative triples (T) correction. | |