Guillaume Fraux
Guillaume Fraux
We will have to also change the regression tests data and the python implementation of GTO in https://github.com/lab-cosmo/librascal/blob/fed28b910d9ba6f8549c935aaf67bdc14051d511/bindings/rascal/utils/radial_basis.py.
@kvhuguenin should we close this?
There is the cosmoepfl organization account (https://hub.docker.com/orgs/cosmoepfl) that might be useable for this
From #307 > This is the automatic workaround. The problem is that ASE sets the cell to be non-periodic if you read a file with no (or unreadable) cell information,...
Sice our structure reading is very coupled with ASE, I think this is very much related to librascal. We don't have to change the structure provided to improve the situation...
It seems to compile fine with LLVM clang 11. So we could also decide that AppleClang 10 is not supported =/
> However, I don't think we can reference a .rst file that belongs to the doc on the python side in doxygen (cpp side) in an automatic/integrated way. We can...
> @Luthaf do you still get an error when you increase the cutoff as you suggested in your first response? No, I get a different error though (#379), but nothing...
Looks like we have examples for most of the functions!
Actually, I closed this a bit too fast: we have examples for most functions, but not all of them have doctests. Here is an example of a doctest, actually checking...