Searched refs:semi_coeff (Results 1 – 2 of 2) sorted by relevance
| /dports/science/bagel/bagel-1.2.2/src/asd/orbital/ |
| H A D | asd_orbopt.cc | 210 shared_ptr<Matrix> semi_coeff = coeff_->copy(); in semi_canonical_orb() local
235 copy_n(acoeff_A->element_ptr(0, i), nbasis_, semi_coeff->element_ptr(0,A_position++)); in semi_canonical_orb()
261 copy_n(acoeff_B->element_ptr(0, i), nbasis_, semi_coeff->element_ptr(0,B_position++)); in semi_canonical_orb()
264 return make_shared<Coeff>(*semi_coeff); in semi_canonical_orb()
|
| /dports/science/bagel/bagel-1.2.2/src/asd/dimer/ |
| H A D | dimer_linked.cc | 201 shared_ptr<Matrix> semi_coeff = sref_->coeff()->copy(); in form_semi_canonical_coeff() local
227 shared_ptr<Matrix> coeff = semi_coeff->copy(); in form_semi_canonical_coeff()
337 …copy_n(mocoeff->element_ptr(0, i), dimerbasis, semi_coeff->element_ptr(0,pos++)); //put back to ri… in form_semi_canonical_coeff()
347 copy_n(mocoeff->element_ptr(0, i), dimerbasis, semi_coeff->element_ptr(0,pos++)); in form_semi_canonical_coeff()
357 copy_n(mocoeff->element_ptr(0, i), dimerbasis, semi_coeff->element_ptr(0,pos++)); in form_semi_canonical_coeff()
367 copy_n(mocoeff->element_ptr(0, i), dimerbasis, semi_coeff->element_ptr(0,pos++)); in form_semi_canonical_coeff()
377 copy_n(mocoeff->element_ptr(0, i), dimerbasis, semi_coeff->element_ptr(0,pos++)); in form_semi_canonical_coeff()
387 copy_n(mocoeff->element_ptr(0, i), dimerbasis, semi_coeff->element_ptr(0,pos++)); in form_semi_canonical_coeff()
390 return semi_coeff; in form_semi_canonical_coeff()
|