Another discovery by @bananenpampe. The following code segfaults: ```py from rascal.representations import SphericalInvariants hypers = { "soap_type": "PowerSpectrum", "interaction_cutoff": 3, "radial_basis": "GTO", "max_radial": 0, "max_angular": 9, "gaussian_sigma_constant": 0.3, "gaussian_sigma_type": "Constant", "cutoff_function_type": "ShiftedCosine", "cutoff_smooth_width": 0.5, "normalize": True, } soap = SphericalInvariants(**hypers) ``` I think this should throw an error instead! --- Other invalid combinations: | max_radial | max_angular | expected | actual | |------------|-------------|----------|----------------| | 1 | 0 | OK | OK | | 0 | 1 | Error | segfault | | 0 | 0 | Error | segfault | | 0 | -1 | Error | segfault | | 1 | -1 | Error | segfault | | 1 | -3 | Error | std::bad_alloc | | -1 | 1 | Error | std::bad_alloc |
Another discovery by @bananenpampe. The following code segfaults:
I think this should throw an error instead!
Other invalid combinations: