Skip to content

Pull requests: materialsproject/atomate2

New pull request New
13 Open 1,239 Closed
13 Open 1,239 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

Fix structure field shadowing sort_structure in VaspInputGenerator
#1530 opened Aug 21, 2026 by ThomasWarford Loading…
5 tasks done
1
1
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
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…
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
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
ProTip! Find all pull requests that aren't related to any open issues with -linked:issue.