Pol Febrer Calabozo

But if you think of it as ```python class PointCloud: lattice = Lattice() sites = Sites() associated_data = [ Atoms() ] ``` Then `PointCloud` would implement these methods and the...

In that case it is undefined behavior, so the associated data would be removed. It makes no sense to keep forces data in this operation. Of course the user could...

Hmm I don't see it that complicated to implement, but perhaps I'm too optimistic :sweat_smile:. I could give it a try when I have time, now I'm finishing the details...

> This goes a bit against your https://github.com/zerothi/sisl/pull/496 in the sense that the naming for that class should be changed, but... No problem, I'm rewriting it anyway to be more...

> I see, so you want some kind of new class that parametrizes a line, and use that as the lattice vectors for a grid. I presume this would mean...

I say it may simplify it a lot because in that implementation (specially in the new rewrite) there is no concept of dimensions. The indices are raveled to be a...

Hmm that's interesting, but is that something official/stable?

> I really like this, however, I am a bit worried about the complexity of the different classes? Are there too many, should we coerce them into 1 with flags...

I changed it so that the iterator works with `__getitem__`, to allow directly getting the neighbors of a given atom instead of requiring the user to loop. (code snippet in...

I can do it myself, but probably next week.