Searched refs:ccoeff_B (Results 1 – 2 of 2) sorted by relevance
| /dports/science/bagel/bagel-1.2.2/src/asd/orbital/ |
| H A D | asd_orbopt.cc | 241 auto ccoeff_B = make_shared<Matrix>(nbasis_, nclosed_+nactcloA_); in semi_canonical_orb() local
242 ccoeff_B->copy_block(0,0, nbasis_,nclosed_, ocoeff); in semi_canonical_orb()
243 …ccoeff_B->copy_block(0,nclosed_, nbasis_,nactcloA_, acoeff->get_submatrix(0,0, nbasis_,nactcloA_)); in semi_canonical_orb()
244 …Matrix> ofockao_B = make_shared<Fock<1>>(geom_, ref_->hcore(), nullptr, ccoeff_B, /*store*/false, … in semi_canonical_orb()
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| /dports/science/bagel/bagel-1.2.2/src/asd/dimer/ |
| H A D | dimer_linked.cc | 267 auto ccoeff_B = ccoeff_A->clone(); in form_semi_canonical_coeff() local
286 copy_n(coeff->element_ptr(0, i), dimerbasis, ccoeff_B->element_ptr(0,pos++)); in form_semi_canonical_coeff()
288 copy_n(coeff->element_ptr(0, nclosed+nactA+i), dimerbasis, ccoeff_B->element_ptr(0,pos++)); in form_semi_canonical_coeff()
342 auto mocoeff = ccoeff_B->slice_copy(0,dim); in form_semi_canonical_coeff()
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