Skip to content

Pull requests: hackingmaterials/atomate

New pull request New
7 Open 660 Closed
7 Open 660 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

Add Firework for Multiwfn/QTAIM analysis of wavefunctions from Q-Chem
#791 opened Jul 18, 2024 by espottesmith Loading…
Bump pymatgen from 2023.7.20 to 2024.2.20 dependencies Pull requests that update a dependency file
#790 opened Mar 12, 2024 by dependabot bot Loading…
Resurrect Insertion Workflow
#787 opened Dec 19, 2023 by jmmshn Loading…
Add hashes to Q-Chem task documents
#786 opened Dec 5, 2023 by espottesmith Loading…
2
Fix Eigenvector normalization problem in Raman workflow
#777 opened Jul 26, 2023 by mbagheri20 Loading…
Bump scipy from 1.9.1 to 1.10.0 dependencies Pull requests that update a dependency file
#775 opened Jul 6, 2023 by dependabot bot Loading…
1
[WIP] Integration for CP2K
#383 opened Mar 15, 2020 by nwinner Loading…
18
ProTip! Type g i on any issue or pull request to go back to the issue listing page.