Andrew S. Rosen

@tomdemeyere: With the ASE changes merged into `master`, I can now properly revisit this PR. There are really only two points to discuss: 1. For ONETEP, we can decide whether...

@tomdemeyere: Thanks for your input! This should be taken care of now. 1. For ONETEP, I went with the single `ONETEP_CMD: str` option, which is essentially identical to the ASE...

Thanks, just wanted to confirm! I switched to libint==2.8.2 in the meantime but look forward to a new release 👍 Feel free to close when you see fit. I'll update...

This probably deserves a meeting :) Happy to chat though! Also, yes, if it was not previously clear I have an unhealthy obsession with knowing the ins and outs of...

@matthewkuner: Great! Let's do a Google Doc and a meeting, which we can transition to a Markdown file later for longevity's sake.

Joke comment: What about the undocumented `LMUSIC` INCAR flag, the VASP flag that somehow (?) plays a little tune when you run the calculation? There are some goodies in the...

@drew-parsons: Thanks for raising this issue. I agree that this would be very nice to add. Unfortunately, we are limited by the fact that pip is not working with the...

I agree on both accounts.

This is indeed still an issue! I closed it by mistake, and this was after trying @mkhorton's recommendation, which works for most stores except MontyStore in particular. Unfortunately, I haven't...

The underlying reason is because `MontyStore` is a function, not a class. It only becomes a class when instantiated. This causes some issues with (de)serialization. ```python from maggma.stores import MontyStore...