openforcefield / openff-toolkit

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
http://openforcefield.org
MIT License
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Fix setting simple molecule conformers #1868

Closed mattwthompson closed 5 months ago

mattwthompson commented 5 months ago

Fixes #1867

Context https://github.com/openforcefield/openff-interchange/issues/977#issuecomment-2079422417

codecov[bot] commented 5 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 93.69%. Comparing base (53db31f) to head (728b276). Report is 1 commits behind head on main.

Additional details and impacted files