MPCD concentric cylinders geometry

glotzerlab / hoomd-blue

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

http://glotzerlab.engin.umich.edu/hoomd-blue

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

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MPCD concentric cylinders geometry #1894

Closed jinnyjc closed 3 weeks ago

jinnyjc commented 2 months ago

Description

This PR adds a new geometry: concentric cylinders. The particles are confined between two cylinders, where the outer cylinder can be rotated counterclockwise with respect to the inner cylinder.

Motivation and context

This type of geometry is helpful for simulating shear flow and is often used in CFD and experiments.

Resolves #1882

How has this been tested?

Python tests are added for mpcd.geometry.ConcentricCylinders.

Change log

* `mpcd.geometry.ConcentricCylinders` for concentric cylinders

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 contributors (sphinx-doc/credits.rst) in the pull request source branch.

mphoward commented 3 weeks ago

@joaander could we try to review & merge this by next week? This PR has turned out to be a blocker for finishing #773.

joaander commented 3 weeks ago

@joaander could we try to review & merge this by next week? This PR has turned out to be a blocker for finishing #773.

Yes, I can do that now.

FYI, I plan to release 5.0 next. You should start basing new work on trunk-major. There aren't many breaking changes on that branch now, but more are coming soon. #1702 in particular will reformat all Python files in the repository. #1914 will be a large rearrangement of the documentation pages (hopefully a mostly automated one). For now, I will continue accepting new features on trunk-minor. After I complete the first of these major overhauls, I will ask that new features be based on trunk-major - temporarily until the release of 5.0.

mphoward commented 3 weeks ago

Yes, I can do that now.

FYI, I plan to release 5.0 next. You should start basing new work on trunk-major.

Thanks, and can do! The work for #773 (https://github.com/glotzerlab/hoomd-blue/tree/feature/mpcd-triclinic-box) is mostly on the C++ side so ideally running ruff won't do much & I may be able to just rebase.

We do have one other feature branch we've been working on in a fork that is close to completion, and I can work with that student to target the right branch.