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openforcefield / openff-qcsubmit

Automated tools for submitting molecules to QCFractal
https://openff-qcsubmit.readthedocs.io/en/latest/index.html
MIT License
26 stars 4 forks source link

Use Psi4 1.9 #251

Closed mattwthompson closed 8 months ago

mattwthompson commented 9 months ago

Description

Upgrade to Psi4 1.9, which might not need the custom Libint label.

Todos

Notable points that this PR has either accomplished or will accomplish.

Status

codecov[bot] commented 9 months ago

Codecov Report

Merging #251 (e71eb3b) into main (2bbe97a) will not change coverage. The diff coverage is n/a.

Additional details and impacted files