Updates to NAGL partial charge handling #23
Labels
enhancement
New feature or request
external dependency
Refactors based on relationship to an outside package
Updates to the OpenFF toolkit NAGLToolkitWrapper have made using the NAGL GNN charge model easier than ever, and have provided newer versions of this charge model which are publically available. The polymerist wrappers on top of this are in need of a handful of updates in turn, namely:
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