Brock Dyer

In addition, an output without printing orbitals will open perfectly fine. Here are some more minimal examples that don't have the extra items from the `LargePrint` specification: [tempo-printmo.tar.gz](https://github.com/user-attachments/files/20765763/tempo-printmo.tar.gz) [tempo-nomo.tar.gz](https://github.com/user-attachments/files/20765765/tempo-nomo.tar.gz)

After a lot of digging over the weekend, I think I've finally isolated the issue down to a single function in the code, specifically a dot product in `structure.py` inside...

I think a good solution is to *both* update the tests and to update the code with `np.round()` since that provides a level of redundancy to the code. I tested...

Okay, so I believe I've fixed all the tests that failed with the new changes. As a brief recap of the changes I made to the testing, I've changed two...

I had a response typed up that would work in theory but actually failed to capture the larger error at play here. What happened here is that the position array...

One additional comment @hgriffin-ux. The test you provided didn't show the error right away because of a bit of nuance in Python's `int()` functionality. For the test you provided, we...

## Original `is_int()` ```python def is_int(var): try: int(var) return True except ValueError: return False #end try #end def is_int ``` ```python >>> is_int( 1 ) True >>> is_int( 1.1 )...