(r, n, l)
| 246 | betas = sqrtm(np.linalg.inv(S)) |
| 247 | |
| 248 | def rbf_polynomial(r, n, l): |
| 249 | poly = 0 |
| 250 | for k in range(1, n_max + 1): |
| 251 | poly += betas[n, k - 1] * (r_cut - np.clip(r, 0, r_cut)) ** (k + 2) |
| 252 | return poly |
| 253 | |
| 254 | return soap_integration(system, centers, args, rbf_polynomial) |
| 255 |