Searched refs:fock_emat (Results 1 – 1 of 1) sorted by relevance
| /dports/science/bagel/bagel-1.2.2/src/ci/fci/ |
| H A D | fci_rdmderiv.cc | 261 auto fock_emat = make_shared<Matrix>(ndet, norb2); in rdm2fderiv() local
275 fock_emat->element(iI + ioffset, kl) += fock->element(m, n) * ebra->element(iI, klmn); in rdm2fderiv()
279 fock_emat->allreduce(); in rdm2fderiv()
281 return fock_emat; in rdm2fderiv()
286 …fset, const size_t size, shared_ptr<const Matrix> dmat, shared_ptr<const Matrix> fock_emat) const { in rdm3deriv()
307 task.emplace_back(ij, kl, fock_fbra, fock_emat, ebra, fock, cc_, norb_, size, offset); in rdm3deriv()
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