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materialsproject / custodian

A simple, robust and flexible just-in-time job management framework in Python.
MIT License
140 stars 108 forks source link

New release #330

Closed JaGeo closed 5 months ago

JaGeo commented 5 months ago

Problem

I would like to adapt the atomate2 workflows with the new run command for LOBSTER.

Proposed Solution

Release of a new custodian version compatible with the latest pymatgen release.

Alternatives

No real alternatives.

Thank you!

JaGeo commented 5 months ago

(cc @shyuep @janosh )

JaGeo commented 5 months ago

Just wanted to follow up on this. It would be great to have this out. Thanks in advance.

shyuep commented 5 months ago

Done

JaGeo commented 5 months ago

Thank you very much, @shyuep !