ProtocolQMMM job takes a different POTCAR than the qm_ref job's

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天涯浪人
天涯浪人 2021-02-01 13:36

I have had an issue recently when running ProtocolQMMM jobs (from pyiron_contrib repo) on my local cluster.

For a ProtocolQMMM job, we need reference jobs for QM and MM c

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