quacc – The Quantum Accelerator

[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 https://github.com/Quantum-Accelerators/quacc/pull/2580
• Bump parsl[monitoring] from 2024.12.9 to 2024.12.16 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2575
• Bump phonopy from 2.33.2 to 2.33.3 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2577
• Bump prefect[dask] from 3.1.7 to 3.1.9 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2576
• Bump dask[distributed] from 2024.12.0 to 2024.12.1 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2578
• Bump emmet-core from 0.84.4 to 0.84.5 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2581
• Bump psutil from 6.1.0 to 6.1.1 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2579
• Fix MPtoASEConverter when atoms is None by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/2585
• Fix sorting with MP sets by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/2587
• Bump prefect[dask] from 3.1.9 to 3.1.10 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2589
• Bump parsl[monitoring] from 2024.12.16 to 2024.12.23 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2590
• Bump phonopy from 2.33.3 to 2.33.4 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2591
• Bump maggma from 0.70.0 to 0.71.0 by @dependabot in https://github.com/Quantum-Accelerators/quacc/pull/2592
• Bump ase from 3.23.0 to 3.24.0 by @Andrew-S-Rosen in https://github.com/Quantum-Accelerators/quacc/pull/2384

Full Changelog: https://github.com/Quantum-Accelerators/quacc/compare/v0.11.8...v0.11.9