[0.11.8]
Added
-
Support for SevenNet and Orb models as MLPs
-
What's Changed
- Bump custodian by @Andrew-S-Rosen in #2497
- Bump prefect[dask] from 3.0.8 to 3.0.9 by @dependabot in #2500
- Bump sella from 2.3.4 to 2.3.5 by @dependabot in #2499
- Bump parsl[monitoring] from 2024.10.7 to 2024.10.14 by @dependabot in #2498
- Bump dask[distributed] from 2024.9.1 to 2024.10.0 by @dependabot in #2503
- Bump psutil from 5.9.8 to 6.1.0 by @dependabot in #2504
- Bump custodian from 2024.10.15 to 2024.10.16 by @dependabot in #2505
- Bump prefect[dask] from 3.0.9 to 3.0.10 by @dependabot in #2506
- Bump pydantic-settings from 2.5.2 to 2.6.0 by @dependabot in #2507
- Bump monty from 2024.7.30 to 2024.10.21 by @dependabot in #2509
- Fix test suite by @Andrew-S-Rosen in #2516
- Bump parsl[monitoring] from 2024.10.14 to 2024.10.21 by @dependabot in #2512
- Bump phonopy from 2.28.0 to 2.29.0 by @dependabot in #2513
- Prefect utils fix resultrecord by @zulissimeta in #2511
- Bump covalent-cloud from 0.73.0 to 0.81.0 by @dependabot in #2517
- Bump prefect[dask] from 3.0.10 to 3.0.11 by @dependabot in #2518
- Bump phonopy from 2.29.0 to 2.29.1 by @dependabot in #2520
- Bump pydantic-settings from 2.6.0 to 2.6.1 by @dependabot in #2522
- Bump parsl[monitoring] from 2024.10.21 to 2024.10.28 by @dependabot in #2526
- pre-commit autoupdate by @pre-commit-ci in #2527
- Bump prefect[dask] from 3.0.11 to 3.1.0 by @dependabot in #2525
- Make Quacc compatible with Parsl's checkpointing capabilities by @tomdemeyere in #2521
- Bump parsl[monitoring] from 2024.10.28 to 2024.11.4 by @dependabot in #2528
- Bump dask[distributed] from 2024.10.0 to 2024.11.1 by @dependabot in #2530
- Bump phonopy from 2.29.1 to 2.30.0 by @dependabot in #2532
- Bump prefect[dask] from 3.1.0 to 3.1.1 by @dependabot in #2529
- Bump typer from 0.12.5 to 0.13.0 by @dependabot in #2531
- Bump codecov/codecov-action from 4 to 5 by @dependabot in #2544
- Bump tblite from 0.3.0 to 0.4.0 by @dependabot in #2533
- Bump typer from 0.13.0 to 0.13.1 by @dependabot in #2536
- Bump parsl[monitoring] from 2024.11.4 to 2024.11.11 by @dependabot in #2537
- Bump torch-dftd from 0.4.0 to 0.5.0 by @dependabot in #2539
- Bump covalent-cloud from 0.81.0 to 0.84.0 by @dependabot in #2540
- Bump mace-torch from 0.3.6 to 0.3.8 by @dependabot in #2541
- Bump dask[distributed] from 2024.11.1 to 2024.11.2 by @dependabot in #2542
- Bump prefect[dask] from 3.1.1 to 3.1.2 by @dependabot in #2543
- Bump phonopy from 2.30.0 to 2.30.1 by @dependabot in #2534
- Bump jobflow from 0.1.18 to 0.1.19 by @dependabot in #2551
- Bump covalent-cloud from 0.84.0 to 0.84.1 by @dependabot in #2546
- Bump prefect[dask] from 3.1.2 to 3.1.4 by @dependabot in #2548
- Bump pydantic from 2.9.2 to 2.10.1 by @dependabot in #2547
- Bump parsl[monitoring] from 2024.11.11 to 2024.11.18 by @dependabot in #2545
- Bump phonopy from 2.30.1 to 2.31.0 by @dependabot in #2550
- Bump torch-dftd from 0.5.0 to 0.5.1 by @dependabot in #2549
- feat: add sevennet support to mlp recipes by @mamunm in #2553
- pre-commit autoupdate by @pre-commit-ci in #2558
- Bump pydantic from 2.10.1 to 2.10.2 by @dependabot in #2554
- Bump phonopy from 2.31.0 to 2.31.2 by @dependabot in #2556
- Bump parsl[monitoring] from 2024.11.18 to 2024.11.25 by @dependabot in #2555
- Bump atomate2 from 0.0.17 to 0.0.18 by @dependabot in #2538
- Bump sevenn from 0.10.1 to 0.10.2 by @dependabot in #2560
- Bump prefect[dask] from 3.1.4 to 3.1.5 by @dependabot in #2559
- Bump mace-torch from 0.3.8 to 0.3.9 by @dependabot in #2561
- Bump parsl[monitoring] from 2024.11.25 to 2024.12.2 by @dependabot in #2562
- Bump phonopy from 2.31.2 to 2.32.0 by @dependabot in #2564
- Bump dask[distributed] from 2024.11.2 to 2024.12.0 by @dependabot in #2565
- Bump pydantic from 2.10.2 to 2.10.3 by @dependabot in #2566
- Bump pymatgen-analysis-defects from 2024.7.19 to 2024.10.22 by @dependabot in #2515
- Bump parsl[monitoring] from 2024.12.2 to 2024.12.9 by @dependabot in #2568
- Bump emmet-core from 0.84.3rc6 to 0.84.4 by @dependabot in #2573
- Bump pydantic-settings from 2.6.1 to 2.7.0 by @dependabot in #2570
- Bump prefect[dask] from 3.1.5 to 3.1.7 by @dependabot in #2571
- Bump phonopy from 2.32.0 to 2.33.2 by @dependabot in #2572
- Bump sevenn from 0.10.2 to 0.10.3 by @dependabot in #2569
- feat: add orb-models support to mlp recipes by @mamunm in #2574
New Contributors
Full Changelog: v0.11.7...v0.11.8
Contributors
mamunm, Andrew-S-Rosen, and 4 other contributors