Andrew S. Rosen

> I see that your comment is different than the one I received by email from git. But yes, originally my plan was to have these "_base" functions. Either per...

> Without run_kwargs there is no way to pass things to dyn.run() The `fmax` and `steps` are already passed in `quacc.runners.ase.run_opt`, and `.run()` doesn't take any other keyword arguments, so...

@tomdemeyere Thank you for addressing my comments! This looks good to me. How are you feeling about the state of this PR? I will likely go ahead and refactor `summarize_md_run`...

Note to self: there are some interesting ideas in https://github.com/materialsproject/atomate2/pull/722/files#diff-ae55fbbe68bef6a3e4bd052ea86c473adb44a91b440d2abb63a89ff1be198fe7 by Materials Project colleagues.

All good! I also have this on the backburner to think about some more.

Thanks for the update! I think improvements on the ASE side are always welcome. I will give this (and your other PRs, e.g. in ASE and here) a more detailed...

Thanks for your persistence with this! I will try to look at this within the next few days (please ping me if I forget). I'm definitely interested to chat more...

Thanks for the reply, @tomdemeyere! Regarding the triangular stuff, thanks for linking me to the MR. If this is just an ASE bug/inconvenience, we will take care of that upstream....

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?

No worries, @tomdemeyere! I have been kind of going back and forth on a bunch of things, so I'm sorry about all the spam here. 😅 I should be done...