v2024.3.1
What's Changed
🐛 Bug Fixes
- Fix
BSPlotterProjected.get_projected_plots_dots_patom_pmorb
fix set & list intersect by @janosh in #3651 - Remove rounding during FEFF writing by @matthewcarbone in #3345
- Fix
get_niggli_reduced_lattice
if entering A1 case by @packer-jp in #3657 - Remove BadPoscarWarning when POSCAR elements set by POTCAR by @esoteric-ephemera in #3662
- Fix RuntimeError triggered in CI of downstream packages by @janosh in #3664
🛠 Enhancements
Kpoint.__eq__
andPhononBandStructureSymmLine.__eq__
methods + tests by @janosh in #3650- LOBSTER IO improvements by @naik-aakash in #3649
📖 Documentation
- Lobsterout update doc-string to match renamed class variable by @naik-aakash in #3655
- Fix installation.md formatting by @Andrew-S-Rosen in #3661
🧹 House-Keeping
🧪 Tests
- Deprecate
_parse_atomic_densities
inBaderAnalysis
and fixBader
test setup by @DanielYang59 in #3656
🏷️ Type Hints
- Improve INCAR tag check by @DanielYang59 in #3621
🤷♂️ Other Changes
- Avoid
bader_caller
from altering compressed file in place by @DanielYang59 in #3660
New Contributors
- @matthewcarbone made their first contribution in #3345
- @packer-jp made their first contribution in #3657
Full Changelog: v2024.2.23...v2024.3.1