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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
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Add faster constrained torsion test #252

Closed j-wags closed 6 months ago

j-wags commented 6 months ago

This PR changes the constrained torsion test to use a minimal molecule instead of tryptophan dipeptide, so that it stops taking so long and timing out on mac.

Fixes #245

codecov[bot] commented 6 months ago

Codecov Report

Merging #252 (bcc9226) into main (ebd7800) will not change coverage. The diff coverage is n/a.

Additional details and impacted files