Joseph Montoya

If you "fizzle" when you detect_lostruns, and then rerun with task level recovery, you should recover at the running task. Should we update the docs to reflect this more clearly,...

Is it possible to get the absolute path of the FW_offline.json, rather than the relative path, and use that for the remainder of the firework? EDIT: Nevermind, didn't understand the...

Yeah, I think having os.getcwd() define the directory to be changed into on a task level recovery should be good (this assumes that the recovery firetask won't try to create...

As an aside, I've had quite a few issues getting efficient force-based optimization in VASP for surfaces with adsorbates, and for a few bulk deformed structures (there's some polymorph of...

@zbwang could you send me a list of those materials which failed? I could test this using those and a few from my work.

@richardtran415 might want to elaborate, but we've worked together to modify the existing surface workflow such that it's more or less identical to the MVL approach. The main change was...

Line 40 of solvers/solver_base.py has this line: ##HACK - not sure why the hell cvgs=self._coverage doesnt work I tried replacing "cvgs = ReactionModelWrapper.**getattr**(self,'_coverage')" with "cvgs=self._coverage" and the tutorials seemed to...

This is a great idea that I'd love to see implemented. On Mon, Dec 18, 2023, 6:34 PM Richard Tran ***@***.***> wrote: > Problem > > At the moment, all...

Yep, every task with _mpworks_meta seems to have this issue.

> 3. The [electrochemical series](https://chemrxiv.org/engage/chemrxiv/article-details/65ebdbce9138d231610ebf6d) method from Tim Mueller et al. See https://oxi.matr.io, they say a library [will be available](https://github.com/TRI-AMDD/oxidation-state-api-public) too but the link currently does not work (@montoyjh ?)...