Fix division by zero in mpcd collision #2228
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Co-authored-by: Michael Howard <[email protected]>
Co-authored-by: Michael Howard <[email protected]>
mphoward
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Feb 9, 2026
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Looks good to me! Please add the small comment to the unit test, then this is good to go from my side. You will also need to add a changelog entry documenting the bugfix.
Co-authored-by: Michael Howard <[email protected]>
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There seems to be an issue with the MPI unit tests. Please run locally and debug. You also still need to add a changelog entry. |
mphoward
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Feb 10, 2026
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Looks good to me, thanks!
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Description
In the thermalize rigid body particles step, there is a potential division by zero if a rigid body has particles that have zero mass.
Motivation and context
This allows for rigid bodies to have constituent particles that do not participate in the MPCD collision step and have zero mass.
Resolves #2223
How has this been tested?
A pytest has been added to check for this error to future proof the code.
Checklist:
sphinx-doc/credits.rst) in the pull request source branch.CHANGELOG.rstfollowing the established format.