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Pull requests: Quantum-Accelerators/quacc

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Pull requests list

Bump sella from 2.3.5 to 2.4.2 dependencies Dependency update or issue python Pull requests that update Python code
#3189 opened Mar 30, 2026 by dependabot bot Loading…
1
Recipes calling relax/static jobs now return a dict
#3158 opened Mar 2, 2026 by vineetbansal Loading…
2
Formation energies in ML potentials
#3122 opened Jan 28, 2026 by zulissimeta Loading…
3 tasks done
8
Add support for batched fairchem inference for many parallel jobs
#3121 opened Jan 27, 2026 by zulissimeta • Draft
3 tasks done
3
Update newtonnet version to 2.0.1
#3054 opened Dec 11, 2025 by Andrew-S-Rosen Loading…
1
[WIP] Add support for AiiDA help wanted
#3007 opened Nov 8, 2025 by Andrew-S-Rosen Loading…
3 tasks done
1
Modify conda installation command for 'qe'
#2957 opened Sep 29, 2025 by Andrew-S-Rosen Loading…
4
enforcing or not relax_cell in elastic tensor flow
#2735 opened Mar 28, 2025 by lbluque • Draft
2 of 3 tasks
1
1
Add Adsorbml recipe for MLPs
#2732 opened Mar 26, 2025 by zulissimeta Loading…
3 of 5 tasks
1
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