Home
last modified time | relevance | path

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

/dports/science/qmcpack/qmcpack-3.11.0/src/AFQMC/HamiltonianOperations/
H A DKPTHCOps.hpp284 int nocca_tot = std::accumulate(nelpk[nd].begin(), nelpk[nd].begin() + nkpts, 0); in energy() local
295 assert(Gc.num_elements() == nwalk * (nocca_tot + noccb_tot) * nmo_tot); in energy()
296 …boost::multi::array_cref<ComplexType, 3> G3Da(to_address(Gc.origin()), {nwalk, nocca_tot, nmo_tot}… in energy()
404 size_t local_memory_needs = nocca_tot * rotnu + rotnu; in energy()
413 boost::multi::array_ref<SPComplexType, 2> TAv(TMats.origin() + cnt_local, {nocca_tot, rotnu}); in energy()
429 …ma::product(G3Da[n]({0, nocca_tot}, {nl0, nl0 + nopk[Kl]}), rotPiu({nl0, nl0 + nopk[Kl]}, {0, rotn… in energy()
800 int nocca_tot = std::accumulate(nelpk[nd].begin(), nelpk[nd].begin() + nkpts, 0); in vbias() local
810 assert(G.num_elements() == nwalk * (nocca_tot + noccb_tot) * nmo_tot); in vbias()
828 size_t local_memory_needs = 2 * nu * nwalk + 2 * nchol_max * nwalk + nu * nocca_tot; in vbias()
839 …boost::multi::array_cref<ComplexType, 3> G3Da(to_address(G.origin()), {nwalk, nocca_tot, nmo_tot}); in vbias()
H A DKP3IndexFactorization.hpp329 int nocca_tot = std::accumulate(nelpk[nd].begin(), nelpk[nd].begin() + nkpts, 0); in getOneBodyPropagatorMatrix() local
417 assert(Gc.num_elements() == nwalk * (nocca_tot + noccb_tot) * npol * nmo_tot); in getOneBodyPropagatorMatrix()
426 GKaKjw_to_GKKwaj(nd, Gc, GKK, nocca_tot, noccb_tot, nmo_tot, nmo_max * nocca_max); in getOneBodyPropagatorMatrix()
698 int nocca_tot = std::accumulate(nelpk[nd].begin(), nelpk[nd].begin() + nkpts, 0); in getOneBodyPropagatorMatrix() local
785 assert(Gc.num_elements() == nwalk * (nocca_tot + noccb_tot) * nmo_tot); in getOneBodyPropagatorMatrix()
786 …boost::multi::array_cref<ComplexType, 3> G3Da(to_address(Gc.origin()), {nocca_tot, nmo_tot, nwalk}… in getOneBodyPropagatorMatrix()
792 GKaKjw_to_GKKwaj(nd, Gc, GKK, nocca_tot, noccb_tot, nmo_tot, nmo_max * nocca_max); in getOneBodyPropagatorMatrix()
1341 int nocca_tot = std::accumulate(nelpk[nd].begin(), nelpk[nd].begin() + nkpts, 0); in getOneBodyPropagatorMatrix() local
1364 assert(Gw.num_elements() == nwalk * (nocca_tot + noccb_tot) * npol * nmo_tot); in getOneBodyPropagatorMatrix()
1384 boost::multi::array_cref<SPComplexType, 4> G3Da(Gptr, {nocca_tot, npol, nmo_tot, nwalk}); in getOneBodyPropagatorMatrix()
[all …]
H A DKP3IndexFactorization_batched.hpp492 int nocca_tot = std::accumulate(nelpk[nd].begin(), nelpk[nd].begin() + nkpts, 0); in getOneBodyPropagatorMatrix() local
547 assert(Gc.num_elements() == nwalk * (nocca_tot + noccb_tot) * npol * nmo_tot); in getOneBodyPropagatorMatrix()
548 C3Tensor_cref G3Da(make_device_ptr(Gc.origin()), {nocca_tot * npol, nmo_tot, nwalk}); in getOneBodyPropagatorMatrix()
1381 int nocca_tot = std::accumulate(nelpk[nd].begin(), nelpk[nd].begin() + nkpts, 0); in getOneBodyPropagatorMatrix() local
1397 assert(G.num_elements() == nwalk * (nocca_tot + noccb_tot) * npol * nmo_tot); in getOneBodyPropagatorMatrix()
1401 … {nocca_tot * npol, nmo_tot, in getOneBodyPropagatorMatrix()