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Add ability to change names in 'atommap' command #1060

Merged
merged 9 commits into from
Dec 13, 2023
Merged

Add ability to change names in 'atommap' command #1060

merged 9 commits into from
Dec 13, 2023

Commits on Dec 12, 2023

  1. Add changenames keyword to change atom names in target topology during 

    atom mapping.
    @drroe
    drroe committed Dec 12, 2023
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Commits on Dec 13, 2023

  1. Add test for changenames

    @drroe
    drroe committed Dec 13, 2023
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  2. Update atommap help

    @drroe
    drroe committed Dec 13, 2023
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  3. Update manual entry

    @drroe
    drroe committed Dec 13, 2023
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  4. 6.22.2. Revision bump for atommap 'changenames' keyword.

    @drroe
    drroe committed Dec 13, 2023
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  5. Protect in parallel

    @drroe
    drroe committed Dec 13, 2023
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  6. Use setup-python v5

    @drroe
    drroe committed Dec 13, 2023
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  7. Try using python 3.10 to get CI working

    @drroe
    drroe committed Dec 13, 2023
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  8. Forgot to update the YML environment too

    @drroe
    drroe committed Dec 13, 2023
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