Searched refs:shell_ranges (Results 1 – 4 of 4) sorted by relevance
204 std::vector<double> shell_ranges; variable
1590 shell_ranges=get_shell_ranges(eps); in compute_shell_ranges()1594 return shell_ranges; in get_shell_ranges()1913 if(dist < shell_ranges[shellinds[ish]]) in eval_func()1958 if(dist < shell_ranges[shellinds[ish]]) in eval_grad()2003 if(dist < shell_ranges[shellinds[ish]]) in eval_hess()