Pol Febrer Calabozo
Pol Febrer Calabozo
> Additionally, in my opinion it is not very clear from the user perspective if a given "column" should be denoted "closed" (real) or "open" (imaginary). It seems ambiguous to...
> What do you mean by second case? The meaning of shift would then have to refer to half the lattice vector in y. Hmm ok, then you'd have to,...
No, they are not, because some shifts leave dangling bonds at the edges of the ribbon
And which shifts are valid depends on the exact characteristics of the junction, it is not straightforward
After talking with @tfrederiksen, I think the best way to go is to let users choose if they want the "supervised" version that makes sure you never leave dangling bonds...
By the way in the "not supervised" version what would it be better: - `0` shift means the bottom atom at the same position as the previous section. - Alignment...
Yes, sure. I'm not sure how easy it is to explain to new python users the named tuple thing though. So they would probably just go with lists. But ```python...
> Probably we could also assign atoms to names in the geometry. geom["section 1"] would be the atoms in section 1, etc... Or you don't want to use this names...
> Also, why do you think your (old) approach is easier interactively? Having to count indices where to put in new items seems awfully hard to me? Yeah it is...
Good! Giving attributes to functions is accepted but nobody does it. This seems like a good case for it, I hope nobody gets mad :laughing: . I'll submit a PR...