Add Multiparticle Collision Dynamics tutorial

glotzerlab / hoomd-examples

HOOMD-blue example scripts.

BSD 3-Clause "New" or "Revised" License

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Add Multiparticle Collision Dynamics tutorial #122

Closed clpetix closed 1 week ago

clpetix commented 1 month ago

Description

Adds a tutorial showing how to use the MPCD module. It uses pressure driven flow of MPCD particles between parallel plates and MD particles in an MPCD solvent as examples.

Resolves: N/A

Checklist:

[x] I have reviewed the Contributor Guidelines.
[x] I agree with the terms of the HOOMD-blue Contributor Agreement.
[x] My name is on the list of authors.

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joaander commented 1 month ago

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joaander commented 1 month ago

And now the CI tests are failing due to a pybind version requirement. I will fix this on another branch.

clpetix commented 1 month ago

This has been updated as requested. I added in a paragraph explaining the MPCD technique and integrator, but will add the suggested pseudocode to the Integrator documentation.