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v0.2.5

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@Andrew-S-Rosen Andrew-S-Rosen released this 04 Sep 21:56
· 2368 commits to main since this release
b7f0dbf

Summary

Added

  • Added support for the Redun workflow engine.
  • Added a simple CLI for (un)setting YAML config parameters.

Changed

  • Internal refactoring of the Vasp calculator.

Removed

  • Removed the demonstration Jobflow EMT slab recipe.

What's Changed

  • Bump pymatgen from 2023.8.10 to 2023.9.2 by @dependabot in #855
  • Simplify tracking of atoms.info due to new pmg release by @arosen93 in #856
  • Remove redundant Path() calls when using .resolve() by @arosen93 in #859
  • Add type-checking support by @arosen93 in #860
  • Address some mypy errors by @arosen93 in #861
  • Refactor Vasp calculator by @arosen93 in #862
  • format code with black, prettier and isort by @deepsource-autofix in #863
  • Stricter check on decorator_kwargs by @arosen93 in #864
  • Add redun support by @arosen93 in #866
  • Streamline jobflow instructions by @arosen93 in #867
  • Replaced os.path.exists() and os.path.join() by @OmAximani0 in #858
  • format code with black, prettier and isort by @deepsource-autofix in #871
  • Add some useful CLI options by @arosen93 in #813

Full Changelog: v0.2.4...v0.2.5