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Searched refs:lmax_k_ (Results 1 – 4 of 4) sorted by relevance

/dports/science/bagel/bagel-1.2.2/src/scf/fmm/
H A Dfmm.h52 int lmax_k_; variable
68 ar << ns_ << lmax_ << ws_ << do_exchange_ << lmax_k_ << debug_ << xbatchsize_ << geomdata_ in save()
74 ar >> ns_ >> lmax_ >> ws_ >> do_exchange_ >> lmax_k_ >> debug_ >> xbatchsize_ >> geomdata_ in load()
H A Dbox.h42 int lmax_, lmax_k_, ws_; variable
96 …: rank_(n), boxsize_(size), centre_(c), boxid_(id), tvec_(v), lmax_(lmax), lmax_k_(lmax_k), sp_(sp… in rank_()
H A Dbox.cc260 const int nmult_k = (lmax_k_+1)*(lmax_k_+1); in compute_M2M_X()
274 MultipoleBatch olm_su(v->shells(), centre_, lmax_k_); in compute_M2M_X()
307 shared_ptr<const ZMatrix> smoment = shift_multipolesX(lmax_k_, c->olm_ji(), r12); in compute_M2M_X()
320 shared_ptr<const ZMatrix> slocal = shift_localLX(lmax_k_, parent->mlm_ji(), r12); in compute_L2L_X()
350 shared_ptr<const ZMatrix> slocal = shift_localMX(lmax_k_, it->olm_ji(), r12); in compute_M2L_X()
584 const int nmult_k = (lmax_k_+1)*(lmax_k_+1); in compute_Fock_ff_K()
595 MultipoleBatch olm_su(v->shells(), centre_, lmax_k_); in compute_Fock_ff_K()
H A Dfmm.cc58 lmax_k_ = idata->get<int>("lmax_exchange", 2); in FMM()
160 auto newbox = make_shared<Box>(0, unitsize_, centre, il, id, lmax_, lmax_k_, sp, thresh_); in get_boxes()
196 nbox, idxp, lmax_, lmax_k_, box_[ichild]->sp(), thresh_); in get_boxes()
244 cout << " *** BATCHSIZE " << xbatchsize_ << " lmax_k " << lmax_k_; in get_boxes()