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added ability to handle 'None' partial charges on OFFMols #119

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merged 1 commit into from
Jun 16, 2020

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j-wags
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@j-wags j-wags commented Jun 16, 2020

This PR fixes an issue that will come up with the upcoming OFF Toolkit 0.7.0 release, where we distinguish between mol.partial_charges=None versus zeros. More details are here: openforcefield/openff-toolkit#486 (comment)

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Making a note that we should remove this code once openforcefield/openff-toolkit#488 is addressed

@jchodera jchodera merged commit 32f8913 into openmm:master Jun 16, 2020
@j-wags j-wags deleted the handle_none_partial_charges branch June 16, 2020 01:02
@jchodera jchodera added this to the 0.7.3 milestone Jun 16, 2020
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