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Searched refs:noccb_tot (Results 1 – 3 of 3) sorted by relevance

/dports/science/qmcpack/qmcpack-3.11.0/src/AFQMC/HamiltonianOperations/
H A DKP3IndexFactorization.hpp332 int noccb_tot = 0; in getOneBodyPropagatorMatrix() local
417 assert(Gc.num_elements() == nwalk * (nocca_tot + noccb_tot) * npol * nmo_tot); in getOneBodyPropagatorMatrix()
420 {noccb_tot, nmo_tot, nwalk}); in getOneBodyPropagatorMatrix()
426 GKaKjw_to_GKKwaj(nd, Gc, GKK, nocca_tot, noccb_tot, nmo_tot, nmo_max * nocca_max); in getOneBodyPropagatorMatrix()
701 int noccb_tot = 0; in getOneBodyPropagatorMatrix() local
785 assert(Gc.num_elements() == nwalk * (nocca_tot + noccb_tot) * nmo_tot); in getOneBodyPropagatorMatrix()
788 {noccb_tot, nmo_tot, nwalk}); in getOneBodyPropagatorMatrix()
1345 int noccb_tot = 0; in getOneBodyPropagatorMatrix() local
1364 assert(Gw.num_elements() == nwalk * (nocca_tot + noccb_tot) * npol * nmo_tot); in getOneBodyPropagatorMatrix()
1386 {noccb_tot, nmo_tot, nwalk}); in getOneBodyPropagatorMatrix()
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H A DKPTHCOps.hpp288 int noccb_tot = 0; in energy() local
290 noccb_tot = std::accumulate(nelpk[nd].begin() + nkpts, nelpk[nd].begin() + 2 * nkpts, 0); in energy()
295 assert(Gc.num_elements() == nwalk * (nocca_tot + noccb_tot) * nmo_tot); in energy()
298 {nwalk, noccb_tot, nmo_tot}); in energy()
804 int noccb_tot = 0; in vbias() local
807 noccb_tot = std::accumulate(nelpk[nd].begin() + nkpts, nelpk[nd].begin() + 2 * nkpts, 0); in vbias()
810 assert(G.num_elements() == nwalk * (nocca_tot + noccb_tot) * nmo_tot); in vbias()
841 {nwalk, noccb_tot, nmo_tot}); in vbias()
H A DKP3IndexFactorization_batched.hpp495 int noccb_tot = 0; in getOneBodyPropagatorMatrix() local
497 noccb_tot = std::accumulate(nelpk[nd].begin() + nkpts, nelpk[nd].begin() + 2 * nkpts, 0); in getOneBodyPropagatorMatrix()
547 assert(Gc.num_elements() == nwalk * (nocca_tot + noccb_tot) * npol * nmo_tot); in getOneBodyPropagatorMatrix()
549 …C3Tensor_cref G3Db(make_device_ptr(Gc.origin()) + G3Da.num_elements() * (nspin - 1), {noccb_tot, n… in getOneBodyPropagatorMatrix()
1385 int noccb_tot = 0; in getOneBodyPropagatorMatrix() local
1388 noccb_tot = std::accumulate(nelpk[nd].begin() + nkpts, nelpk[nd].begin() + 2 * nkpts, 0); in getOneBodyPropagatorMatrix()
1397 assert(G.num_elements() == nwalk * (nocca_tot + noccb_tot) * npol * nmo_tot); in getOneBodyPropagatorMatrix()
1406 … {noccb_tot, nmo_tot, nwalk}); in getOneBodyPropagatorMatrix()