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Pull requests: materialsproject/atomate2

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Pull requests list

Forcefield roundtrip when specifying monty dict
#1461 opened Apr 15, 2026 by esoteric-ephemera Collaborator Loading…
Auto-update pre-commit hooks dependencies Pull requests that update a dependency file
#1459 opened Apr 14, 2026 by github-actions bot Loading…
Alternative ASE/MLFF batch mode
#1456 opened Apr 7, 2026 by esoteric-ephemera Collaborator Loading…
[WIP] Updated: Lattice dynamics workflow using hiPhive
#1367 opened Jan 2, 2026 by thomasloux Contributor Loading…
3 of 8 tasks
[WIP] LAMMPS Flows
#1185 opened Apr 22, 2025 by vir-k01 Loading…
Lattice dynamics workflow using Pheasy
#1063 opened Nov 22, 2024 by hrushikesh-s Collaborator Loading…
5 tasks done
[WIP] Lattice dynamics workflow using hiPhive
#1062 opened Nov 22, 2024 by hrushikesh-s Collaborator Loading…
5 tasks done
GW-BSE calculation with Abinit
#816 opened Apr 23, 2024 by tatha0003 Loading…
WIP: Vasp ml
#715 opened Feb 12, 2024 by davidwaroquiers Contributor Loading…
3 of 5 tasks
[WIP] Defects CP2K
#280 opened Mar 27, 2023 by nwinner Contributor Loading…
[WIP] Added waveder support
#187 opened Oct 30, 2022 by jmmshn Contributor Draft
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