Searched refs:orbsh (Results 1 – 2 of 2) sorted by relevance
402 std::vector<GaussianShell> orbsh(orbbas.get_shells()); in compute_fitint() local435 size_t i0=orbsh[is].get_first_ind(); in compute_fitint()436 size_t j0=orbsh[js].get_first_ind(); in compute_fitint()440 size_t Ni=orbsh[is].get_Nbf(); in compute_fitint()441 size_t Nj=orbsh[js].get_Nbf(); in compute_fitint()445 eri->compute(&orbsh[is],&orbsh[js],&dummy,&fitsh[as]); in compute_fitint()490 std::vector<GaussianShell> orbsh(orbbas.get_shells()); in compute_ERIfit() local583 std::vector<GaussianShell> orbsh(orbbas.get_shells()); in compute_diag_ERIfit() local