April 16, 2021
1:32 p.m.
Dear all, I think that selecting site families by name is the most clear: `if site.family.name == 'e': ...`. On the other hand, defining `norbs=None` vs. `norbs=1` makes that the onsite values are broadcasted to a tinyarray of shape `(1,)`. This might lead to uncommon broadcasting issues, and data type conversion such as `int` to `float`. Best regards, Pablo