Searched refs:ang_l (Results 1 – 6 of 6) sorted by relevance
105 vector<double> MoldenIn::transform_cart(vector<double> carts, int ang_l) { in transform_cart() argument106 vector<vector<pair<int,double>>> mtuv = lmtuv_.at(ang_l); in transform_cart()
240 const string ang_l(matches[1].first, matches[1].second); in read() local241 atomic_shell_order.push_back(atommap.angular_number(ang_l)); in read()271 atom_basis_info.push_back(make_tuple(ang_l, exponents, coefficients)); in read()
100 string ang_l = am.angular_string(ishell->angular_number()); in write_aos() local107 ofs_ << setw(2) << ang_l << setw(12) << range.second - range.first << endl; in write_aos()
48 std::vector<double> transform_cart(std::vector<double> in, int ang_l);
134 double ang_l; // Electrical length in angle variable
77 ang_l = 0.0; // Electrical length in angle in TRANSLINE()