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Pull requests: aiidateam/aiida-common-workflows

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Pull requests list

Add DFTK backend
#341 opened Nov 25, 2024 by Technici4n • Draft
2 tasks
Fix: Update FLEUR energy extraction
#340 opened Nov 14, 2024 by t-reents Loading…
2
Workflows: harmonic phonons via finite differences
#306 opened May 23, 2023 by bastonero • Draft
3
Include PseudoDojo protocols for CASTEP
#302 opened Mar 13, 2023 by zhubonan Loading…
Feature/relax code agn wc
#261 opened Feb 2, 2022 by bosonie Loading…
1
Implement CommonBandsWorkChain for FLEUR
#259 opened Jan 14, 2022 by janssenhenning Loading…
4
Implement CommonBandsWorkChain for CASTEP
#258 opened Jan 13, 2022 by zhubonan Loading…
11
Implement common bands work chain for Quantum ESPRESSO
#257 opened Jan 13, 2022 by mbercx Loading…
13
Feature/relax and bands wc
#254 opened Dec 16, 2021 by bosonie Loading…
22
Add CommonRelaxInputGenerator subclass for DFT based codes
#236 opened Oct 18, 2021 by sphuber Loading…
1
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