Francesco Ricci

Results 19 comments of Francesco Ricci

Thanks for commenting on this. I'm not sure if this only applies to afm_by_xx. Potentially to fim_by_xx as well? But, I can confirm that this happened to me with compounds...

Ok cool, I think we are on the same page now. To put it in a different way, the overarching question is: what does None really means for the MagneticStructureEnumerator....

If I can chime in here. I just posted a bug issue in pmg which is affecting the atomate MagWF. https://github.com/materialsproject/pymatgen/issues/3431 It could be useful to test if that bug...

Added some initial test mostly. I tested the wf with Fireworks and with an external output db.

Sure, I'll give it a try soon.

Glad you like it! Thanks a lot for revising the whole thing. I had quick look at your comments and suggestions. They actually cover most of the questions I had...

Hi @utf . I completely missed your last ping. Yes, please go through it and let me know what's still missing. I think I covered all of your suggestions. Thanks!

Hey! Yeah, I think I messed this branch up trying to sync it to the upstream with git rebase. I'll check what I can do.

This branch got broken in some way. New and cleaner pull request opened #1012. This one can be closed.