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Lees-Edwards boundary conditions for shear flow#2122

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wkdarko wants to merge 48 commits intoglotzerlab:trunkfrom
wkdarko:lees-edwards
Open

Lees-Edwards boundary conditions for shear flow#2122
wkdarko wants to merge 48 commits intoglotzerlab:trunkfrom
wkdarko:lees-edwards

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@wkdarko
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@wkdarko wkdarko commented Sep 13, 2025

Description

This PR implements the Lees-Edwards boundary conditions for performing shear flow simulations.

Motivation and context

The implementation will allow users to simulate bulk rheology under full periodic boundary conditions.

How has this been tested?

Unit tests on box deformation methods were added.

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.

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github-actions bot commented Oct 3, 2025

This pull request has been automatically marked as stale because it has not had recent activity. It will be closed if no further activity occurs.

@github-actions github-actions bot added the stale There has been no activity on this for some time. label Oct 3, 2025
@mphoward mphoward removed the stale There has been no activity on this for some time. label Oct 3, 2025
@joaander
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joaander commented Oct 3, 2025

Now that 5.4 is out, this is next on my list to review. I'll look at the proposed changes soon.

@mphoward
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mphoward commented Oct 3, 2025

Thanks! I’ve also asked Kwabena to merge up trunk-minor to keep this current.

@mphoward mphoward removed the stale There has been no activity on this for some time. label Dec 22, 2025
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This pull request has been automatically marked as stale because it has not had recent activity. It will be closed if no further activity occurs.

@github-actions github-actions bot added the stale There has been no activity on this for some time. label Jan 11, 2026
@mphoward mphoward removed the stale There has been no activity on this for some time. label Jan 11, 2026
wkdarko and others added 3 commits January 13, 2026 08:22
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github-actions bot commented Feb 1, 2026

This pull request has been automatically marked as stale because it has not had recent activity. It will be closed if no further activity occurs.

@github-actions github-actions bot added the stale There has been no activity on this for some time. label Feb 1, 2026
@joaander joaander removed the stale There has been no activity on this for some time. label Feb 2, 2026
@mphoward
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mphoward commented Feb 2, 2026

FYI: @wkdarko is iterating the box deformation implementation in a fork with me:

wkdarko#7

I think it's getting close, so we will bring it into this PR soon

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This pull request has been automatically marked as stale because it has not had recent activity. It will be closed if no further activity occurs.

@github-actions github-actions bot added the stale There has been no activity on this for some time. label Feb 22, 2026
@mphoward mphoward removed the stale There has been no activity on this for some time. label Feb 22, 2026
@wkdarko
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wkdarko commented Apr 9, 2026

Hello @mphoward and @joaander , the implementation of box deformation is ready for review on this PR. Could you please take a look when you have a chance? Thanks!

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3 participants