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Pull requests: Quantum-Accelerators/quacc

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Pull requests list

Bump matgl from 1.2.1 to 1.2.6 dependencies Dependency update or issue python Pull requests that update Python code
#2744 opened Apr 7, 2025 by dependabot bot Loading…
1
enforcing or not relax_cell in elastic tensor flow
#2735 opened Mar 28, 2025 by lbluque • Draft
3 tasks done
1
Add Adsorbml recipe for MLPs
#2732 opened Mar 26, 2025 by zulissimeta Loading…
3 of 5 tasks
1
Added basic recipe for FHI-Aims , with support for static, relax and …
#2710 opened Mar 17, 2025 by BCAyers2000 Loading…
3 tasks done
4
Exploring refactoring options
#2706 opened Mar 15, 2025 by Andrew-S-Rosen • Draft
1
Remove AseAtomsAdaptor calls
#2703 opened Mar 11, 2025 by Andrew-S-Rosen • Draft
Support ASE dev version
#2594 opened Dec 30, 2024 by Andrew-S-Rosen • Draft
1
Organize outputs directory as nested folders
#2296 opened Jun 21, 2024 by zulissimeta • Draft
@Andrew-S-Rosen
18
Implement MP2024 recipes VASP waiting-for-upstream Issue or PR is waiting for an upstream code change.
#2138 opened May 13, 2024 by Andrew-S-Rosen • Draft
3 tasks done
1
1
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