v0.2.6

Summary

Added

• Add support for Path objects everywhere possible.

Changed

• Charge and spin multiplicity are now required arguments in molecular DFT calculators.
• Slab recipes now use make_slabs_from_bulk instead of make_max_slabs_from_bulk
• Use the logging module when warnings do not need to be immediately addressed.
• Functions are no longer used as kwargs in recipes to help with (de)serialization in certain workflow engines.

Removed

• Removed make_max_slabs_from_bulk function.

What's Changed

• Improve speed of initial import by @Andrew-S-Rosen in #879
• Update monty by @Andrew-S-Rosen in #880
• Make LMAXMIX clearer by @Andrew-S-Rosen in #881
• Transition from os --> pathlib by @Andrew-S-Rosen in #882
• format code with black, prettier and isort by @deepsource-autofix in #884
• format code with black, prettier and isort by @deepsource-autofix in #885
• Finish ruff fixes by @Andrew-S-Rosen in #886
• Add support for the Prefect workflow engine by @Andrew-S-Rosen in #875
• format code with black, prettier and isort by @deepsource-autofix in #889
• format code with black, prettier and isort by @deepsource-autofix in #891
• Fix prefect test by @Andrew-S-Rosen in #892
• format code with black, prettier and isort by @deepsource-autofix in #893
• Update mkdocs.yml by @Andrew-S-Rosen in #894
• Improve serializability of recipe inputs by @Andrew-S-Rosen in #895
• format code with black, prettier and isort by @deepsource-autofix in #897
• Use round instead of int by @Andrew-S-Rosen in #903
• Fix attribute check by @Andrew-S-Rosen in #906
• Use logging by @Andrew-S-Rosen in #907
• Clearer handling of spin multiplicity across recipes by @Andrew-S-Rosen in #905
• ruff . --fix by @Andrew-S-Rosen in #909
• Switch to using make_slabs_from_bulk in slab recipes by @Andrew-S-Rosen in #911
• Improve hyperlinking in docs by @Andrew-S-Rosen in #912
• format code with black, prettier and isort by @deepsource-autofix in #913
• Bump pymatgen from 2023.9.2 to 2023.9.10 by @dependabot in #914
• Bump prefect from 2.12.1 to 2.13.0 by @dependabot in #915
• Bump parsl from 2023.8.28 to 2023.9.4 by @dependabot in #917
• Bump maggma from 0.54.0 to 0.56.0 by @dependabot in #916
• Don't auto-set charge/spin in Q-Chem calculator by @Andrew-S-Rosen in #908

Full Changelog: v0.2.5...v0.2.6