fix Brownian integrators when using anisotropic interactions and zeroing out elements of the moment of inertia tensor #1825
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…ing out entries of the moment of inertia tensor
SchoeniPhlippsn
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tcmoore3,
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Jun 20, 2024
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Description
The Brownian integrators did not zero out the torques of an anisotropic pair potential when the moment of inertia has a 0 element. This PR fixes that bug in both the regular and rattle Brownian integrator.
Motivation and context
Important for simulations of particles with fixed orientations
How has this been tested?
I tested it on some of my simulations.
Change log
Checklist:
sphinx-doc/credits.rst) in the pull request source branch.