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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

Revert tooling changes #247

Closed mattwthompson closed 7 months ago

mattwthompson commented 7 months ago

Description

I was looking through https://github.com/openforcefield/openff-qcsubmit/pull/195/files and found many changes that I don't think were intentional as they don't serve the objective of that PR.

Todos

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

Status

codecov[bot] commented 7 months ago

Codecov Report

Merging #247 (ea7256c) into main (09da561) will not change coverage. The diff coverage is n/a.

Additional details and impacted files
j-wags commented 7 months ago

Thanks, all good catches!