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occ
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#include <limits>#include <occ/core/linear_algebra.h>#include <occ/qm/coulomb_metric.h>#include <occ/qm/integral_engine.h>#include <vector>Classes | |
| class | occ::qm::PackedDFStore |
| Three-centre integrals (μν|P) over the screened canonical shell pairs (q <= p, as IntegralEngine::shellpairs()), packed: one contiguous np x nq block per stored shell pair, every auxiliary function a column. More... | |
| struct | occ::qm::PackedDFStore::Block |
Namespaces | |
| namespace | occ |
| namespace | occ::qm |
| quantum mechanics/quantum chemistry functionality including Hartree-Fock and more | |