Belated review for #1744

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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Belated review for #1744 #1768

Closed Yoshanuikabundi closed 10 months ago

Yoshanuikabundi commented 10 months ago

This just adds some more prose to clarify the notebook and also takes coordinates from Modeller, so we can remove the _collate_coordinates function - this now works for arbitrary water lattices.

[x] Update docstrings/documentation, if applicable
[x] Lint codebase

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codecov[bot] commented 10 months ago

Codecov Report

Merging #1768 (979bcc9) into main (312d136) will decrease coverage by 0.02%. The diff coverage is n/a.

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