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Fails to do geometry check after SCF recovery #39

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dbkchu opened this issue Aug 11, 2024 · 0 comments
Open

Fails to do geometry check after SCF recovery #39

dbkchu opened this issue Aug 11, 2024 · 0 comments

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@dbkchu
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dbkchu commented Aug 11, 2024

If an optimization job had an initial SCF failure, which was subsequently recovered by jobmanager, it does not check on the geometry of the final optimized structure. This likely has to do with the job history tracking implemented via the pickle file.
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