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Pull requests: Quantum-Accelerators/quacc

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Pull requests list

Formation energies in ML potentials
#3122 opened Jan 28, 2026 by zulissimeta Loading…
3 tasks done
2
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…
Testing against custom fork of jobflow that supports a flow decorator
#3016 opened Nov 14, 2025 by vineetbansal Loading…
2 of 3 tasks
7
[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
Organize outputs directory as nested folders
#2296 opened Jun 21, 2024 by zulissimeta • Draft
@Andrew-S-Rosen
18
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