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Easier handling of trajectory in opt schema #1582

Merged
merged 14 commits into from
Jan 22, 2024
Merged

Easier handling of trajectory in opt schema #1582

merged 14 commits into from
Jan 22, 2024

Commits on Jan 22, 2024

  1. Easier handling of trajectory in opt schema

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jan 22, 2024
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  2. Update ase.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jan 22, 2024
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  3. Update cclib.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jan 22, 2024
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  4. Update cclib.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jan 22, 2024
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  5. Update cclib.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jan 22, 2024
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  6. Update cclib.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jan 22, 2024
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  7. Update cclib.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jan 22, 2024
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  8. Update cclib.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jan 22, 2024
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  9. Update test_cclib_schema.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jan 22, 2024
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  10. Update test_emt_recipes.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jan 22, 2024
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  11. Update core.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jan 22, 2024
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  12. Update test_newtonnet_recipes.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jan 22, 2024
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  13. Update core.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jan 22, 2024
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  14. style: format code with Black, isort and Prettier 

    This commit fixes the style issues introduced in 7e19a51 according to the output
from Black, isort and Prettier.

Details: #1582
    @deepsource-autofix
    deepsource-autofix[bot] authored Jan 22, 2024
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