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Pull requests: Quantum-Accelerators/quacc

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Pull requests list

Organize outputs directory as nested folders
#2296 opened Jun 21, 2024 by zulissimeta • Draft
@Andrew-S-Rosen
14
Vibrational analysis recipe for VASP
#2242 opened Jun 12, 2024 by benshi97 Loading…
23
WIP: Added ase Nudged Elastic Band in the NewtonNet recipe
#2176 opened May 24, 2024 by kumaranu • Draft
3 tasks
@Andrew-S-Rosen
165
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
32
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