Nick Papior

Thanks for the MR, I think this is a good idea. I will give this some thought and probably implement it in another way (to generalize for *all* objects).

Thanks for your suggestions! What should we name it? ```python from sisl_toolbox import hamiltonians from sisl_toolbox import tb_models ``` ? Perhaps this would also go to be useful for dynamical...

A good idea. I have also thought about a class that has all these things in one place. This let's it be more versatile, and it would have the required...

Reference for MX2 materials: https://arxiv.org/pdf/1305.6089.pdf

For graphene this is now implemented, see `sisl_toolbox.models.graphene.hamiltonian.ref["simple"]` which is the basic TB model. For now it is not as customizable, and I wish it had some other constructs as...

> I like the `sp2` constructor in the Hubbard code. Perhaps it (or something like it) could be available in sisl and return a function that you can pass to...

I agree. However, we should probably make `sanitize_orbs` into a 2 argument function `atoms, orbitals` since one *may* wish to subset not *only* based on orbitals? Or perhaps `orbitals, atoms=None`?...

But consider you want only s orbitals on H atoms, this would require a filtering of the orbital list after getting all of them, I don't think it would make...

I would assume that atoms is a pre-filter for where you would search atoms for the orbitals. So yes, something like that.

It is because i would have a hard time creating categories for *orbitals* that actually filter atoms? Right...