| 179 | } |
| 180 | |
| 181 | SOAPPolynomial::SOAPPolynomial( |
| 182 | double r_cut, |
| 183 | int n_max, |
| 184 | int l_max, |
| 185 | double eta, |
| 186 | py::dict weighting, |
| 187 | string average, |
| 188 | double cutoff_padding, |
| 189 | py::array_t<int> species, |
| 190 | py::array_t<double> species_weights, |
| 191 | bool periodic, |
| 192 | string compression, |
| 193 | py::array_t<double> rx, |
| 194 | py::array_t<double> gss |
| 195 | ) |
| 196 | : DescriptorLocal(periodic, average, r_cut+cutoff_padding) |
| 197 | , r_cut(r_cut) |
| 198 | , n_max(n_max) |
| 199 | , l_max(l_max) |
| 200 | , eta(eta) |
| 201 | , weighting(weighting) |
| 202 | , cutoff_padding(cutoff_padding) |
| 203 | , species(species) |
| 204 | , species_weights(species_weights) |
| 205 | , compression(compression) |
| 206 | , rx(rx) |
| 207 | , gss(gss) |
| 208 | { |
| 209 | } |
| 210 | |
| 211 | void SOAPPolynomial::create( |
| 212 | py::array_t<double> out, |
no outgoing calls
no test coverage detected