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subprocess errors comunication with plams #194

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merged 2 commits into from
Jan 13, 2025

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GiulioIlBen
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First example on how to communicate that something with amsprep is not working. I do not know if there are other examples where this occurs, but for now I have added few lines to report that error when using the function Molecule.add_hatoms.

in this case a decorator like requires_optional_package might be useful to have?

…ot working. probably the print is not a good idea
mol/molecule.py Outdated Show resolved Hide resolved
replace print with plams.log

Co-authored-by: dormrod <[email protected]>
@GiulioIlBen GiulioIlBen merged commit 3e2fe8f into trunk Jan 13, 2025
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