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Pull requests: Quantum-Accelerators/quacc

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Pull requests list

WIP: Added ase Nudged Elastic Band in the NewtonNet recipe
#2176 opened May 24, 2024 by kumaranu • Draft
3 tasks
35
Implement change_settings_wf, basically change_settings when using a workflow management
#2163 opened May 17, 2024 by honghuikim • Draft
3 tasks done
8
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
Refactor runners into classes housekeeping Things to tidy up that are otherwise kind of boring
#2020 opened Apr 21, 2024 by Andrew-S-Rosen Loading…
3 tasks done
1
Implement MD workflows New Recipe
#1672 opened Feb 7, 2024 by tomdemeyere Loading…
4 tasks
1
58
ProTip! Exclude everything labeled bug with -label:bug.