Tom Demeyere

> Note to self: there are some interesting ideas in https://github.com/materialsproject/atomate2/pull/722/files#diff-ae55fbbe68bef6a3e4bd052ea86c473adb44a91b440d2abb63a89ff1be198fe7 by Materials Project colleagues. FYI: I didn't give up on this PR, I have some other things to finish...

Some progress! I think I would like to take advantage of this merge request to fix a few things on ASE's side. Currently there are multiple problems: - Some Molecular...

This should be close to go, there is still something essential before being able to run MD correctly: restarts. They are still difficult to do (impossible in some cases), but...

Some news on this? Just to know if it is waiting on https://gitlab.com/ase/ase/-/merge_requests/3310

> @tomdemeyere: Thank you for your enormous amount of patience with this PR. I didn't see your comment from 3 weeks ago, so my apologies about not responding and for...

> Oh, but also I still had the question about fixcm and fixrot. Did we need to rename them for some reason? Was that also an internal consistency thing? Most...

FYI: I have seen all your comments, but I am moving right now. I will make sure to come back to it ASAP 😀 !

> 1. When you have a moment, could you please re-review the changed files and see if this is to your liking? I think it's nice (I skipped the part...

@Andrew-S-Rosen Nothing 🙃, to the best of my knowledge, it is just me being used to it

Sure! that seems like a reasonable idea. If you have time could you explain why deleting the resolve fix the issue in the test? I can't get a feeling about...