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@mzbush mzbush commented Sep 30, 2025

Description

This PR implements a means of momentum transfer from constituent particles to the rigid body during the collision step. This method requires that the constituent particles be thermalized prior to the collision step, where all constituent particles of rigid bodies have a random velocity vector added to their current velocity such that the net gain of these random velocities to the linear and angular velocity of the rigid body is zero. This is to ensure that rigid bodies reach the set temperature in the MPCD fluid.

This implementation is currently incompatible with MPI and only works for 1 CPU or 1 GPU.

Motivation and context

Resolves #2001

How has this been tested?

Unit tests have been added to ensure momentum conservation and error checking.

Checklist:

  • I have reviewed the Contributor Guidelines.
  • I agree with the terms of the HOOMD-blue Contributor Agreement.
  • My name is on the list of contributors (sphinx-doc/credits.rst) in the pull request source branch.
  • I have summarized these changes in CHANGELOG.rst following the established format.

mzbush and others added 30 commits March 19, 2025 18:39
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
mzbush and others added 30 commits July 29, 2025 13:43
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
Co-authored-by: Michael Howard <mphoward@auburn.edu>
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