Pull requests: Quantum-Accelerators/quacc
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WIP: Added ase Nudged Elastic Band in the NewtonNet recipe
#2176
opened May 24, 2024 by
kumaranu
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3 tasks
Provide info on the MPIExecutor in the Parsl-related docs
#2167
opened May 22, 2024 by
Andrew-S-Rosen
•
Draft
Implement
change_settings_wf
, basically change_settings when using a workflow management
#2163
opened May 17, 2024 by
honghuikim
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3 tasks done
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
Add support for having non-displaced atoms in Phonopy routines
enhancement
New feature or request
#2110
opened May 10, 2024 by
tomdemeyere
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3 tasks
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
Fix Something isn't working
waiting-for-upstream
Issue or PR is waiting for an upstream code change.
copy_files
support with Parsl
bug
#1942
opened Mar 25, 2024 by
Andrew-S-Rosen
•
Draft
ProTip!
What’s not been updated in a month: updated:<2024-04-25.