Janosh Riebesell

Results 165 issues of Janosh Riebesell

enables running MatPES PBE-only statics, e.g. for quick debug runs @esoteric-ephemera would be good to get your eyes on this

enhancement
vasp

https://github.com/materialsproject/emmet/blob/a917fc1cbec99524498943e39f8546008cf9b2db/emmet-core/emmet/core/vasp/calc_types/enums.py#L9-L20 tagging @esoteric-ephemera @tsmathis

`Flow.update_metadata` is now much more similar to and has reached feature parity with `Job.update_metadata`: https://github.com/materialsproject/jobflow/blob/367836b0d51a89fa58a9d685c4cdb9fc7f806c01/src/jobflow/core/job.py#L922-L930

enhancement

would be good to refactor or individually ignore the 144 violations of [PERF401](https://docs.astral.sh/ruff/rules/manual-list-comprehension) in the code base so we can enable that rule for future PRs https://github.com/materialsproject/pymatgen/blob/6bb293896945106476d6676cb2b65550d791edb5/pyproject.toml#L218

linting
help wanted

would allow not polluting the line diff count in PRs that only update the durations file. ideally, users would only need to change the `--durations-path` extension to make this work:...