| 14 | using namespace std; |
| 15 | |
| 16 | ACSF::ACSF(double r_cut, vector<vector<double> > g2_params, vector<double> g3_params, vector<vector<double> > g4_params, vector<vector<double> > g5_params, vector<int> atomic_numbers, bool periodic) |
| 17 | : DescriptorLocal(periodic, "off", r_cut) |
| 18 | { |
| 19 | set_r_cut(r_cut); |
| 20 | set_g2_params(g2_params); |
| 21 | set_g3_params(g3_params); |
| 22 | set_g4_params(g4_params); |
| 23 | set_g5_params(g5_params); |
| 24 | set_atomic_numbers(atomic_numbers); |
| 25 | } |
| 26 | |
| 27 | void ACSF::set_r_cut(double r_cut) |
| 28 | { |
nothing calls this directly
no outgoing calls
no test coverage detected