Enforce angular momentum conservation in MPCD simulations

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Guang-Le Du

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Jan 29, 2023, 12:21:23 PM1/29/23
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Dear all,

I would like to simulate actively spinning particles (modelling for example spinning microorganisms) suspended in fluid by multi-particle collision dynamics (MPCD). Angular moment conservation in this case should be important. According to the document of mpcd (version 2.9.3,  document about mpcd cannot be found in the latest version v3.8.1), angular momentum conservation was not implemented.

Considering that it is an old version of document about mpcd, I am wondering if the angular momentum conservation has been implemented in the latest version of HOOMD-blue. If no, will it be implemented in the near future?

Regards,
Guangle Du

Michael Howard

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Jan 30, 2023, 8:39:56 AM1/30/23
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Hi Guangle,

You are correct that MPCD in HOOMD does not implement the momentum-conserving versions of the SRD or AT collision rules. MPCD is available in HOOMD up through v2.9.7, but it is not available in v3. (This is why it is not indexed in the current documentation.) I am still planning to port it and began the process, but my time is limited so progress has been slow.

Regards,
Mike

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