Skip to content

Pull requests: materialsproject/atomate2

New pull request New
34 Open 877 Closed
34 Open 877 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
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

Fixed Failing Abinit tests
#1106 opened Jan 21, 2025 by jmmshn • Draft
1
Deprecated Structure.ntypesp in pymatgen
#1105 opened Jan 21, 2025 by jmmshn Loading…
Add code of conduct in accordance with MP Foundation recommmendation
#1103 opened Jan 13, 2025 by JaGeo Loading…
Bump monty from 2024.10.21 to 2025.1.9 dependencies Pull requests that update a dependency file
#1101 opened Jan 13, 2025 by dependabot bot Loading…
Bump mp-api from 0.43.0 to 0.45.1 dependencies Pull requests that update a dependency file
#1100 opened Jan 13, 2025 by dependabot bot Loading…
Bump pydantic from 2.9.2 to 2.10.5 dependencies Pull requests that update a dependency file
#1099 opened Jan 13, 2025 by dependabot bot Loading…
Bump click from 8.1.7 to 8.1.8 dependencies Pull requests that update a dependency file
#1097 opened Jan 6, 2025 by dependabot bot Loading…
Bump ase from 3.23.0 to 3.24.0 dependencies Pull requests that update a dependency file
#1096 opened Jan 6, 2025 by dependabot bot Loading…
[WIP] bump monty
#1095 opened Jan 4, 2025 by naik-aakash Loading…
8
Add MatterSim, Allegro and OCP models (fairchem-core) to ase_calculators enhancement Improvements to existing features forcefields Forcefield related
#1079 opened Dec 7, 2024 by janosh Loading…
Auto-update pre-commit hooks dependencies Pull requests that update a dependency file
#1074 opened Dec 1, 2024 by github-actions bot Loading…
Bump mdanalysis from 2.7.0 to 2.8.0 dependencies Pull requests that update a dependency file
#1066 opened Nov 25, 2024 by dependabot bot Loading…
Lattice dynamics workflow using Pheasy
#1063 opened Nov 22, 2024 by hrushikesh-s Loading…
5 tasks
18
[WIP] Lattice dynamics workflow using hiPhive
#1062 opened Nov 22, 2024 by hrushikesh-s Loading…
5 tasks done
4
ABINIT DFPT SHG
#1060 opened Nov 19, 2024 by VicTrqt Loading…
10
Change how electrode flow retrieves charge density data
#1055 opened Nov 12, 2024 by esoteric-ephemera Loading…
16
Generalize download_opls_xml Function
#1054 opened Nov 12, 2024 by shehan807 Loading…
5 tasks
4
Bump openmm from 8.1.1 to 8.2.0 dependencies Pull requests that update a dependency file
#1052 opened Nov 11, 2024 by dependabot bot Loading…
1
[WIP] Update LOBSTER output files list
#1044 opened Nov 5, 2024 by naik-aakash • Draft
1 task
5
Single source of truth for optional deps in pyproject.toml dependencies Pull requests that update a dependency file pkg Package health and distribution related stuff
#1036 opened Nov 1, 2024 by janosh Loading…
4
Bump lobsterpy from 0.4.9 to 0.5.0 dependencies Pull requests that update a dependency file
#1029 opened Oct 28, 2024 by dependabot bot Loading…
Add support for template_molecule to allow charged molecules in classical MD workflows
#1023 opened Oct 27, 2024 by orionarcher Loading…
5 tasks done
[WIP] Add NEB, ApproxNEB jobs / workflows
#1007 opened Oct 4, 2024 by esoteric-ephemera Loading…
1
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
Feat: Add DeepMD MLFF support forcefields Forcefield related md Molecular dynamics
#999 opened Sep 29, 2024 by MoseyQAQ Loading…
1 task done
22
ProTip! no:milestone will show everything without a milestone.