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Add 'addatom' action #1092

Merged
merged 15 commits into from
Jul 12, 2024
Merged

Add 'addatom' action #1092

merged 15 commits into from
Jul 12, 2024

Commits on Jul 12, 2024

  1. Start addatom

    @drroe
    drroe committed Jul 12, 2024
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  2. Init the top writer

    @drroe
    drroe committed Jul 12, 2024
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  3. Modified, not stripped

    @drroe
    drroe committed Jul 12, 2024
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  4. Finish initial incarnation

    @drroe
    drroe committed Jul 12, 2024
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  5. Set up topology

    @drroe
    drroe committed Jul 12, 2024
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  6. Enable command

    @drroe
    drroe committed Jul 12, 2024
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  7. Add test save files

    @drroe
    drroe committed Jul 12, 2024
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  8. If incoming top has pdb or extra amber atom info, make sure placeholder 

    values are added
    @drroe
    drroe committed Jul 12, 2024
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  9. Functions for adding extra amber atom info

    @drroe
    drroe committed Jul 12, 2024
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  10. Add test

    @drroe
    drroe committed Jul 12, 2024
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  11. Add mass and charge keywords, add test

    @drroe
    drroe committed Jul 12, 2024
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  12. 6.27.3. Revision bump for new 'addatom' action.

    @drroe
    drroe committed Jul 12, 2024
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  13. Add manual entry for addatom.

    @drroe
    drroe committed Jul 12, 2024
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  14. Disable the Jenkins intel build since the node has been offline for a 

    while.
    @drroe
    drroe committed Jul 12, 2024
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  15. Upgrade wrapper document to lyx 2.4 as well.

    @drroe
    drroe committed Jul 12, 2024
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