materialsproject/pymatgen v2024.2.23

on GitHub

What's Changed

🐛 Bug Fixes

• Modify BadInputSetWarning logic for relaxations of a likely metal by @Andrew-S-Rosen in #3634
• Fix Lobsterenv Bug by @naik-aakash in #3637
• [BugFix] Subclass Construction Locpot<:VolumetricData by @jmmshn in #3639
• Guard MSONAtoms definition behind ASE package availability by @ml-evs in #3645
• Remove properties from abivars dict as this breaks the interface with… by @gmatteo in #3642

🛠 Enhancements

• Add interface to icet SQS tools through SQSTransformation by @esoteric-ephemera in #3593
• Modified CifParser.check() as one possible solution for issue #3626 by @kaueltzen in #3628
• Add capability for Vasprun to read KPOINTS_OPT data by @bfield1 in #3509

🧪 Tests

• Compress test vasprun.xml files by @DanielYang59 in #3648

🤷‍♂️ Other Changes

• Alias VaspInputSet to VaspInputGenerator by @janosh in #3566

New Contributors

• @bfield1 made their first contribution in #3509

Full Changelog: v2024.2.20...v2024.2.23