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aiidateam / aiida-quantumespresso Public

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Adding support for aiida-atomistic `StructureData`#1050

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mikibonacci wants to merge 10 commits intoaiidateam:mainaiidateam/aiida-quantumespresso:mainfrom mikibonacci:support/atomisticmikibonacci/aiida-quantumespresso:support/atomisticCopy head branch name to clipboard

+353-29

Conversation Commits10 (10)Checks Files changed

Commits

Commits on Nov 25, 2024

Adding magnetic utils for atomistic StructureData
mikibonacci
committed
Supporting output_structure of type atomistic StructureData.
mikibonacci
committed

Commits on Dec 5, 2024

providing support for aiida-atomistic in Pw CalcJob and BaseWorkChain
mikibonacci
committed
Optional support for aiida-atomistic
mikibonacci
committed
introducing support in bands.py
mikibonacci
committed
Structure_classes tuple instead of explicit tuple of types
mikibonacci
committed

Commits on Jan 20, 2025

Adding MissingEntryPointError
mikibonacci
committed
Fixing seekpath_structure_analysis
mikibonacci
committed
Fixing convert_qe_to_aiida_structure
mikibonacci
committed
bugfix in convert_qe_to_aiida_structure
mikibonacci
committed

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