Skip to content

Pull requests: materialsproject/atomate2

New pull request New
20 Open 1,114 Closed
20 Open 1,114 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

Auto-update pre-commit hooks dependencies Pull requests that update a dependency file
#1384 opened Feb 14, 2026 by github-actions bot Loading…
Bump quippy-ase from 0.10.1 to 0.10.2 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1378 opened Feb 2, 2026 by dependabot bot Loading…
1
Bump torch from 2.2.0 to 2.10.0 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1375 opened Jan 26, 2026 by dependabot bot Loading…
[WIP] Updated: Lattice dynamics workflow using hiPhive
#1367 opened Jan 2, 2026 by thomasloux Loading…
3 of 8 tasks
7
Bump sevenn from 0.10.4 to 0.12.0 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1352 opened Dec 15, 2025 by dependabot bot Loading…
Bump pytest from 8.4.2 to 9.0.2 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1343 opened Dec 8, 2025 by dependabot bot Loading…
Faster Phonon Forcefield Workflow By Introducing Batch ASEMakers (especially relevant for remote execution)
#1196 opened May 6, 2025 by naik-aakash Loading…
8
[WIP] LAMMPS Flows
#1185 opened Apr 22, 2025 by vir-k01 Loading…
31
Lattice dynamics workflow using Pheasy
#1063 opened Nov 22, 2024 by hrushikesh-s Loading…
5 tasks
57
[WIP] Lattice dynamics workflow using hiPhive
#1062 opened Nov 22, 2024 by hrushikesh-s Loading…
5 tasks done
5
ABINIT DFPT SHG
#1060 opened Nov 19, 2024 by VicTrqt Loading…
10
Add support for template_molecule to allow charged molecules in classical MD workflows
#1023 opened Oct 27, 2024 by orionarcher Loading…
5 tasks done
Bump torchdata from 0.7.1 to 0.8.0 dependencies Pull requests that update a dependency file
#1000 opened Sep 30, 2024 by dependabot bot Loading…
1
WIP: New Lobster workflow with additional speedup due to two subsequent Lobster runs
#962 opened Aug 24, 2024 by JaGeo • Draft
Addition of JDFTx code
#955 opened Aug 13, 2024 by cote3804 Loading…
8
GW-BSE calculation with Abinit
#816 opened Apr 23, 2024 by tatha0003 Loading…
24
[WIP] Job execution tutorial
#773 opened Mar 13, 2024 by ml-evs • Draft
WIP: Vasp ml
#715 opened Feb 12, 2024 by davidwaroquiers Loading…
3 of 5 tasks
6
[WIP] Defects CP2K
#280 opened Mar 27, 2023 by nwinner Loading…
1
[WIP] Added waveder support
#187 opened Oct 30, 2022 by jmmshn • Draft
4
ProTip! Type g p on any issue or pull request to go back to the pull request listing page.