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Pull requests: aiidateam/aiida-cp2k

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Pull requests list

[pre-commit.ci] pre-commit autoupdate
#229 opened Apr 7, 2025 by pre-commit-ci bot Loading…
added sorting of trajectories according to stepid
#218 opened Sep 10, 2024 by cpignedoli Loading…
use kind_name as element tag in the xyz file
#216 opened May 13, 2024 by superstar54 Loading…
1
auto-calculate ADDED_MOS based on basissets
#131 opened Apr 7, 2021 by dev-zero Loading…
24
aiida-cp2k cli
#105 opened Apr 23, 2020 by dev-zero Loading…
11
First working version of Bands work chain.
#93 opened Mar 29, 2020 by yakutovicha Loading…
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