Skip to content

Pull requests: materialyzeai/matcalc

New pull request New
7 Open 98 Closed
7 Open 98 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

Add option to check if imaginary modes exist in phonon/QHA calculations to ensure valid thermochemistry
#131 opened Dec 23, 2025 by Andrew-S-Rosen Loading…
4 tasks done
Tighten default fmax in PhononCalc and QHACalc
#129 opened Dec 22, 2025 by Andrew-S-Rosen Loading…
3 of 4 tasks
1
1
Add pressure parameter to quasi-harmonic approximation
#128 opened Dec 22, 2025 by Andrew-S-Rosen Loading…
4 tasks done
pre-commit autoupdate
#126 opened Dec 22, 2025 by pre-commit-ci bot Loading…
1
Unify model naming convention
#123 opened Dec 10, 2025 by rul048 Loading…
3 of 4 tasks
6
[WIP] Add GBCalc class for Grain Boundary Energy Calculation
#111 opened Sep 23, 2025 by atulcthakur Loading…
3 tasks done
3
[WIP] Add PheasyCalc class for higher order phonon calculations
#65 opened Apr 17, 2025 by leslie-zheng Loading…
4 tasks
9
ProTip! Exclude everything labeled bug with -label:bug.