Alexander Goscinski
Alexander Goscinski
Would just add these 4 lines in this branch, seems the simplest solution. The lammps integration PR will be very likely thrown away and split into smaller PRs as soon...
> I'm not sure I understand either; it seems you'd need all of examples/cpp/krr_model.cc to be able to read JSON model files in C++. Yes the model is loaded here...
Okay it is not that simple as I initially thought. I think the easiest solution would be to add a new python constructor to the representation classes and kernel to...
are you (@max-veit @Luthaf) okay with a fix to throw error when `covariant_lambda=0`? I doubt that anyone will fix the real underlying error. We can refer to the python implementation...
> While we are doing this, I think there's a more transparent way to encode nparrays, if I'm not mistaken. I find this tolist() a bit burdensome I am not...
The first 4 answers all use tolist() ```python if isinstance(obj, np.ndarray): return obj.tolist() ```
there has been some dramatic improvements of test time in the `feat/interpolator` branch by reducing the `length` parameter in the kernel tests, it is now around twice as fast. ```...
move `-Og` flag to a new `CMAKE_BUILD_TYPE`. Suggested name `DebugOg`
I would usually propose to put an error message in both places. On the JS side the more general and on the Python the one with extra information. But in...
I am working on a PR making the json reading of cpp files more user friendly #376 (at the moment json error is returned which basically only tells you that...