| 20 | using namespace std; |
| 21 | |
| 22 | SOAPGTO::SOAPGTO( |
| 23 | double r_cut, |
| 24 | int n_max, |
| 25 | int l_max, |
| 26 | double eta, |
| 27 | py::dict weighting, |
| 28 | string average, |
| 29 | double cutoff_padding, |
| 30 | py::array_t<int> species, |
| 31 | py::array_t<double> species_weights, |
| 32 | bool periodic, |
| 33 | string compression, |
| 34 | py::array_t<double> alphas, |
| 35 | py::array_t<double> betas |
| 36 | ) |
| 37 | : DescriptorLocal(periodic, average, r_cut+cutoff_padding) |
| 38 | , r_cut(r_cut) |
| 39 | , n_max(n_max) |
| 40 | , l_max(l_max) |
| 41 | , eta(eta) |
| 42 | , weighting(weighting) |
| 43 | , cutoff_padding(cutoff_padding) |
| 44 | , species(species) |
| 45 | , species_weights(species_weights) |
| 46 | , compression(compression) |
| 47 | , alphas(alphas) |
| 48 | , betas(betas) |
| 49 | { |
| 50 | } |
| 51 | |
| 52 | void SOAPGTO::create( |
| 53 | py::array_t<double> out, |
no outgoing calls
no test coverage detected