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Pull requests: pythonworkflow/python-workflow-definition

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Pull requests list

Use optimade to convert ASE atoms to JSON
#22 by jan-janssen was merged Mar 21, 2025 Loading…
updating repo
#86 by QuantumChemist was closed Apr 29, 2025 Loading…
The simple workflow produced from pyiron_base is broken
#10 by jan-janssen was merged Mar 13, 2025 Loading…
Fix bug in simple workflow
#9 by jan-janssen was merged Mar 12, 2025 Loading…
Add aiida as requirement
#14 by jan-janssen was merged Mar 14, 2025 Loading…
Use dict keys as strings
#13 by jan-janssen was merged Mar 14, 2025 Loading…
Use JSON structure
#12 by jan-janssen was merged Mar 14, 2025 Loading…
Add Aiida interface
#8 by jan-janssen was closed Mar 14, 2025 Draft
Collect shared functionality in a shared module
#16 by jan-janssen was merged Mar 15, 2025 Loading…
Add pure python interface
#15 by jan-janssen was merged Mar 15, 2025 Loading…
Test Executorlib
#17 by jan-janssen was merged Mar 15, 2025 Loading…
Install aiida-workgraph from conda-forge
#47 by jan-janssen was merged Apr 2, 2025 Loading…
Merge Workflows in one Pipeline
#48 by jan-janssen was merged Apr 3, 2025 Loading…
Use functions with underscore
#41 by jan-janssen was closed Apr 2, 2025 Loading…
Explain the abbreviation in the readme
#43 by jan-janssen was merged Apr 2, 2025 Loading…
Sort by workflows
#38 by jan-janssen was merged Apr 2, 2025 Loading…
Bug fix for pyiron_base interface
#36 by jan-janssen was merged Apr 2, 2025 Loading…
Use conda_subprocess in NFDI example
#50 by jan-janssen was merged Apr 6, 2025 Loading…
Update Jupyter notebooks
#45 by jan-janssen was merged Apr 2, 2025 Loading…
Fix file name
#40 by jan-janssen was merged Apr 2, 2025 Loading…
Fixes
#42 by jan-janssen was merged Apr 2, 2025 Loading…
Add a third workflow - comptaibility to NFDI4Ing
#37 by jan-janssen was merged Apr 2, 2025 Loading…
Reduce aiida notebook
#46 by jan-janssen was merged Apr 2, 2025 Loading…
Test NFDI4Ing issue
#93 by jan-janssen was merged May 3, 2025 Loading…
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