openforcefield / openff-bespokefit

Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.
https://docs.openforcefield.org/bespokefit
MIT License
59 stars 9 forks source link

Pin QCPortal to 0.53 #337

Closed mattwthompson closed 5 months ago

mattwthompson commented 5 months ago

336

codecov[bot] commented 5 months ago

Codecov Report

Merging #337 (25e11eb) into main (0ca1eb4) will not change coverage. The diff coverage is n/a.

Additional details and impacted files