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Pull requests: materialsproject/atomate2

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Pull requests list

Amset interpolation convergence
#1537 opened Aug 26, 2026 by Jackbt21 Loading…
1
Fix numerical residues in symmetry-expanded elastic strains
#1534 opened Aug 24, 2026 by xhuang-lila Loading…
6
Port the magnetic exchange workflow from atomate1 (Heisenberg fit + Vampire Tc)
#1528 opened Aug 18, 2026 by Luguza • Draft
3 of 7 tasks
1
9
Add run_stats calculations and corresponding tests for FHI-aims
#1527 opened Aug 17, 2026 by TomatoTurtlez Loading…
9
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…
1
Abinit DFPT
#1474 opened May 8, 2026 by emarazzi Loading…
4
Lattice dynamics workflow using Pheasy
#1063 opened Nov 22, 2024 by hrushikesh-s Collaborator Loading…
5 tasks done
87
[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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