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Pull requests: Quantum-Accelerators/quacc

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Pull requests list

Provide info on the MPIExecutor in the Parsl-related docs
#2167 opened May 22, 2024 by Andrew-S-Rosen • Draft
1
Implement change_settings_wf, basically change_settings when using a workflow management
#2163 opened May 17, 2024 by honghuikim Loading…
3 tasks done
8
Bump shakenbreak from 3.3.1 to 3.3.3
dependencies Dependency update or issue python Pull requests that update Python code
#2155 opened May 16, 2024 by dependabot bot Loading…
1
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
Add support for having non-displaced atoms in Phonopy routines
enhancement New feature or request
#2110 opened May 10, 2024 by tomdemeyere Loading…
3 tasks
31
Add support for new ASE profile format
enhancement New feature or request
#2061 opened Apr 29, 2024 by Andrew-S-Rosen • Draft
3 tasks done
1
3
Fix copy_files support with Parsl
bug Something isn't working waiting-for-upstream Issue or PR is waiting for an upstream code change.
#1942 opened Mar 25, 2024 by Andrew-S-Rosen • Draft
1
1
Implement MD workflows
New Recipe
#1672 opened Feb 7, 2024 by tomdemeyere Loading…
4 tasks
1
57
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