Add warning for lammps pre-processing #503
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RandomDefaultUser
requested changes
Feb 19, 2024
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Thanks for the PR @timcallow, I agree that for now (until we have fixed the underlying issue) a warning like this is the best way to proceed. MALA has a parallel warning function that I would suggest we use instead of the printout function.
Co-authored-by: Lenz Fiedler <[email protected]>
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Thanks for the suggestion, I didn't notice that function - I've committed your change |
RandomDefaultUser
approved these changes
Feb 20, 2024
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Warning for users when pre-processing SNAP with lammps. This is a temporary workaround for issue #502