[0.11.9]
Changed
- ASE>=3.24.0 is required due to upstream breaking changes
Fixed
- Fixed a bug where DFT+U parameters might not be set appropriately if the
Atoms
object is sorted when using MP input sets
What's Changed
- Bump pydantic from 2.10.3 to 2.10.4 by @dependabot in #2580
- Bump parsl[monitoring] from 2024.12.9 to 2024.12.16 by @dependabot in #2575
- Bump phonopy from 2.33.2 to 2.33.3 by @dependabot in #2577
- Bump prefect[dask] from 3.1.7 to 3.1.9 by @dependabot in #2576
- Bump dask[distributed] from 2024.12.0 to 2024.12.1 by @dependabot in #2578
- Bump emmet-core from 0.84.4 to 0.84.5 by @dependabot in #2581
- Bump psutil from 6.1.0 to 6.1.1 by @dependabot in #2579
- Fix
MPtoASEConverter
whenatoms
isNone
by @Andrew-S-Rosen in #2585 - Fix sorting with MP sets by @Andrew-S-Rosen in #2587
- Bump prefect[dask] from 3.1.9 to 3.1.10 by @dependabot in #2589
- Bump parsl[monitoring] from 2024.12.16 to 2024.12.23 by @dependabot in #2590
- Bump phonopy from 2.33.3 to 2.33.4 by @dependabot in #2591
- Bump maggma from 0.70.0 to 0.71.0 by @dependabot in #2592
- Bump ase from 3.23.0 to 3.24.0 by @Andrew-S-Rosen in #2384
Full Changelog: v0.11.8...v0.11.9