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Hirshfeld Automation #150

Merged
merged 14 commits into from
Apr 15, 2024
Merged

Hirshfeld Automation #150

merged 14 commits into from
Apr 15, 2024

Commits on Mar 20, 2024

  1. Initial commit

    @OscarvanVuren
    OscarvanVuren committed Mar 20, 2024
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  2. Added docstring

    @OscarvanVuren
    OscarvanVuren committed Mar 20, 2024
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Commits on Apr 3, 2024

  1. push to remote

    @OscarvanVuren
    OscarvanVuren committed Apr 3, 2024
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  2. Minor typo

    @OscarvanVuren
    OscarvanVuren committed Apr 3, 2024
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Commits on Apr 5, 2024

  1. Added simple testcase

    @OscarvanVuren
    OscarvanVuren committed Apr 5, 2024
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  2. Merge remote-tracking branch 'origin/hirshfeld' into hirshfeld

    @OscarvanVuren
    OscarvanVuren committed Apr 5, 2024
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  3. fixed testcase

    @OscarvanVuren
    OscarvanVuren committed Apr 5, 2024
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  4. fixed testcase again

    @OscarvanVuren
    OscarvanVuren committed Apr 5, 2024
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  5. Added more tests and functions for multiline data

    @OscarvanVuren
    OscarvanVuren committed Apr 5, 2024
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Commits on Apr 11, 2024

  1. Changed if statements to dict: added test for vmd out

    @OscarvanVuren
    OscarvanVuren committed Apr 11, 2024
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  2. fixed typo in test script

    @OscarvanVuren
    OscarvanVuren committed Apr 11, 2024
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  3. Commented in some argument descriptions

    @OscarvanVuren
    OscarvanVuren committed Apr 11, 2024
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  4. Merge branch 'main' into hirshfeld

    @OscarvanVuren
    OscarvanVuren committed Apr 11, 2024
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Commits on Apr 15, 2024

  1. Merge branch 'main' into hirshfeld

    @OscarvanVuren
    OscarvanVuren committed Apr 15, 2024
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