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Participants

Goals

  • Updates from MolSSI

    • QCFractal release + prod QCArchive upgrade

  • Compute

    • QM and MM workers on Lilac

    • ANI and MM workers on Newcastle

    • QM, MM, and QM-200g workers on PRP

  • New submissions

    • dipeptide dataset

    • imposed electric field in QM; follow-up

      • v1.1 fix:

  • User questions/issues

  • Science support needs

  • Infrastructure needs / advances

    • what is the latest QCEngine compatible with prod QCArchive / QCFractal?

    • psi4 on conda-forge

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Notes




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