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Rigid shear fixes (github: trishakholiya)#1

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trishakholiya wants to merge 2 commits intoChem281Materials:developfrom
trishakholiya:rigid-shear
Open

Rigid shear fixes (github: trishakholiya)#1
trishakholiya wants to merge 2 commits intoChem281Materials:developfrom
trishakholiya:rigid-shear

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@trishakholiya trishakholiya commented Sep 30, 2025

Summary

This pull request rebases the rigid-shear branch onto develop, squashing the branch changes into a single commit.
These updates include:

  • Indexing bug fix for ghost comm of remapped velocities across PBC when group all is not used
  • Velocity remapping of rigid body VCM
  • Langevin corrections for rigid bodies in shear
  • Ghost atom velocity bugfix ported to KOKKOS

This also includes a commit from the maintenance branch that adds missing override.

  • Cherry-picked 'add missing override' from maintenance

Related Issue(s)
None

Author(s)

GitHub Actions done by Trisha Kholiya

Licensing

By submitting this pull request, I agree, that my contribution will be included in LAMMPS and redistributed under either the GNU General Public License version 2 (GPL v2) or the GNU Lesser General Public License version 2.1 (LGPL v2.1).

Backward Compatibility

Implementation Notes

Changes implemented based on HW assignment.

Post Submission Checklist

  • The feature or features in this pull request is complete
  • Licensing information is complete
  • Corresponding author information is complete
  • The source code follows the LAMMPS formatting guidelines
  • Suitable new documentation files and/or updates to the existing docs are included
  • The added/updated documentation is integrated and tested with the documentation build system
  • The feature has been verified to work with the conventional build system
  • The feature has been verified to work with the CMake based build system
  • Suitable tests have been added to the unittest tree.
  • A package specific README file has been included or updated
  • One or more example input decks are included

Further Information, Files, and Links

HW 2-2

akohlmey and others added 2 commits September 29, 2025 19:12
1. indexing bug fix for ghost comm of remapped velocities across PBC when group all is not used
2. velocity remapping of rigid body VCM
3. Langevin corrections for rigid bodies in shear
4. port ghost atom velocity bugfix to KOKKOS
@trishakholiya trishakholiya marked this pull request as draft September 30, 2025 02:31
@trishakholiya trishakholiya reopened this Oct 1, 2025
@trishakholiya trishakholiya marked this pull request as ready for review October 1, 2025 02:20
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3 participants