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Implement geomopt Constraints #313

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Implement geomopt Constraints #313

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Commits on Sep 30, 2024

  1. Allow ASE constraint to be used in geomopt 

    - Separate parameter from filter_func
- kwargs come from minimize_args, same as filter args
- Check if the constraint needs "atoms" and insert if so
    @ajjackson
    ajjackson committed Sep 30, 2024
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  2. Tidy up a bit

    @ajjackson
    ajjackson committed Sep 30, 2024
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    71969dd View commit details
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