Pol Febrer Calabozo

Yes sure you can do it like that if you want. I was thinking more in terms of the bonds that the plot shows, but you can do it by...

Aaah ok, I didn't know that. And there is one per atom?

Then there's no problem! One can already plot them with the current API: https://zerothi.github.io/sisl/visualization/viz_module/showcase/GeometryPlot.html#Drawing-arrows. So it would be just a matter of providing an even smoother interface for this specific...

For now, I have just used categories to pass them on the `atoms` argument. So from that point of view all that concerns me is that atoms are correctly selected...

Done! I updated the comment, it is hidden in the "See the full script" collapsible at the top of the benchmarks.

Hmm I moved the conversion out of the timing and I get almost the same. Could you share which systems are you testing? When I began testing, I only tiled...

> Hmm I moved the conversion out of the timing and I get almost the same. Could you share which systems are you testing? When I began testing, I only...

I incorporated the distance filtering inside the fortran loop (previously it was done a posteriori in python) and now it is even more efficient. I kept the old ones to...

Ok! I'm going to keep optimizing some things now that I know everything works fine :)

I added (optional) periodic boundary conditions. For now, what is done is to return the supercell indices of the neighbors (in three extra columns). Also, I added a `find_close` method...