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Do not compare virtual site weights to OpenMM #540

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merged 1 commit into from
Nov 6, 2023

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Description

In #534 I added some detail that compares the virtual site directly to OpenMM's implementation; with Interchange v0.3.17 the implementation changed to make direct comparison no longer possible.

Note there are still several tests elsewhere, i.e. https://github.com/openforcefield/openff-forcefields/blob/main/openforcefields/tests/test_water_models.py

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codecov bot commented Nov 6, 2023

Codecov Report

Merging #540 (fb83250) into main (e053535) will not change coverage.
The diff coverage is n/a.

Additional details and impacted files

@mattwthompson mattwthompson merged commit 90e7053 into main Nov 6, 2023
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@mattwthompson mattwthompson deleted the local-coordinates-site branch December 5, 2024 16:17
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