Searched defs:orbpairs (Results 1 – 6 of 6) sorted by relevance
92 std::vector<eripair_t> orbpairs; variable
405 std::vector<shellpair_t> orbpairs(orbbas.get_unique_shellpairs()); in compute_fitint() local493 std::vector<shellpair_t> orbpairs(orbbas.get_unique_shellpairs()); in compute_ERIfit() local586 std::vector<shellpair_t> orbpairs(orbbas.get_unique_shellpairs()); in compute_diag_ERIfit() local
525 std::vector<shellpair_t> orbpairs=basis.get_unique_shellpairs(); in coulomb_fit() local