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2 general base classes for workflows #3

Merged
merged 17 commits into from Feb 7, 2024
Merged

2 general base classes for workflows #3

merged 17 commits into from Feb 7, 2024

Commits on Feb 5, 2024

  1. Added base classes for DFTMethod and DFTOutputs, and for GWOutputs

    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  2. Reformatted and using inheritance gw.py

    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  3. Added TBOutputs and DMFTOutputs to general.py 

    Reformatted dmft.py
    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  4. Added BeyondDFT2Tasks base class and MaxEntOutputs in general.py 

    Reformatted and inheritance in maxent.py
    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  5. Reformatted xs.py and photon_polarization.py

    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  6. Changed inheritance by composition 

    Reformat tb.py
    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  7. Added composition to XS workflow

    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  8. Defining ElectronicStructureOutputs for generic complex workflows

    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  9. Fix bug name

    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  10. Fixing XS and tests

    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  11. Changed name to electronic workflows to add Plus

    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  12. Fix testing

    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  13. Generalize method in BeyondDFT class

    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  14. Improved extraction of workflow_name

    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  15. Adding nmr workflow (#6) 

    * Added MagneticOutputs in general.py

* Added more imports for usage in __init__
    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  16. Fix testing 

    Added Alvin comments
    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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  17. Add missing import

    @JosePizarro3
    JosePizarro3 committed Feb 5, 2024
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