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Pull requests: materialsproject/atomate2

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Pull requests list

Port the magnetic exchange workflow from atomate1 (Heisenberg fit + Vampire Tc)
#1528 opened Aug 18, 2026 by Luguza • Draft
3 of 7 tasks
1
1
Add run_stats calculations and corresponding tests for FHI-aims
#1527 opened Aug 17, 2026 by TomatoTurtlez Loading…
9
Bump wandb from 0.28.1 to 0.28.2 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1526 opened Aug 17, 2026 by dependabot Bot Loading…
Bump fireworks from 2.1.3 to 2.1.4 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1525 opened Aug 17, 2026 by dependabot Bot Loading…
Bump jupyterlab from 4.6.1 to 4.6.3 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1524 opened Aug 17, 2026 by dependabot Bot Loading…
Bump pymatgen-core from 2026.5.18 to 2026.8.13 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1523 opened Aug 17, 2026 by dependabot Bot Loading…
Update setuptools requirement from <84,>=42 to >=42,<85 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1522 opened Aug 17, 2026 by dependabot Bot Loading…
Bump ipython from 9.15.0 to 9.16.1 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1521 opened Aug 10, 2026 by dependabot Bot Loading…
Bump upet from 0.2.5 to 0.2.6 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1512 opened Jul 6, 2026 by dependabot Bot Loading…
Update phonopy requirement from <4,>=2.43.6 to >=2.43.6,<5 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1500 opened Jun 22, 2026 by dependabot Bot Loading…
Abinit DFPT
#1474 opened May 8, 2026 by emarazzi Loading…
4
Auto-update pre-commit hooks dependencies Pull requests that update a dependency file
#1467 opened Apr 28, 2026 by github-actions Bot Loading…
Update pymongo requirement from <=4.16.0 to <=4.17.0 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1465 opened Apr 27, 2026 by dependabot Bot Loading…
Lattice dynamics workflow using Pheasy
#1063 opened Nov 22, 2024 by hrushikesh-s Collaborator Loading…
5 tasks done
85
[WIP] Lattice dynamics workflow using hiPhive
#1062 opened Nov 22, 2024 by hrushikesh-s Collaborator Loading…
5 tasks done
5
WIP: New Lobster workflow with additional speedup due to two subsequent Lobster runs
#962 opened Aug 24, 2024 by JaGeo Member • Draft
GW-BSE calculation with Abinit
#816 opened Apr 23, 2024 by tatha0003 Loading…
25
WIP: Vasp ml
#715 opened Feb 12, 2024 by davidwaroquiers Contributor Loading…
3 of 5 tasks
6
[WIP] Defects CP2K
#280 opened Mar 27, 2023 by nwinner Contributor Loading…
2
[WIP] Added waveder support
#187 opened Oct 30, 2022 by jmmshn Contributor • Draft
5
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