Page Comparison

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• David Dotson

• Ben Pritchard

• Joshua Horton

• Trevor Gokey

• Jeffrey Wagner

Goals

• New advancements

  • QCSubmit can now perform submissions with ignore_errors

  • Docker deployments now up

  • New clusters: HPC@UCI (old cluster) and Greenplanet

• New submissions

  • Disacharrides #124

  • ANI2x additional compute for benchmark ligands #136

• Upcoming infrastructure improvements

  • Psi4Harness error reporting fix

  • STANDARDS-based versioning #137

• Upcoming science support

  • PCM-based implicit solvent pathway

    Github link macro
    link https://github.com/psi4/psi4/issues/1986

  • ESPs and wavefunction storage

    Github link macro
    link https://github.com/psi4/psi4/issues/1987

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