Nick Papior

Thanks for this issue! Really should be solved, yes!

Could you add a complete minimal example, I can't read the basis information from the supplied file?

how many times did you tile this NPG? 20? I am trying things out, but a smaller geometry would be ideal, i.e. say 5 times? Also, after this reduction, which...

I could reproduce with a minimal graphene lattice, no need for anything, thanks.

Ok, the problem is because the code translates to the primary unit-cell. I can see that this can be problematic when coordinates are close to the boundary, as they may...

Could you have a look with the latest commit?

Thanks for your detailed tests! There has always been some obscurity in selecting supercells connections, and this is what is causing this. I'll have to check again and see what...

I have created a more complete documentation, so I think this will be covered there.

I have some related issues #196 and #11. What is the purpose of `Sites` besides having coordinates without lattice information? Where would this be used, and what methods should it...

Well, consider a `geom.translate(atoms=range(1, 3)`, the forces/velocities etc. would undeniably be changed in the *real* calculation, but the associated data will not, so either it should be deleted, or what...