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add dihedral multi/harmonic/kk#4482

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akohlmey merged 1 commit into
lammps:developfrom
rbberger:dihedral_multi_harmonic_kokkos
Apr 2, 2025
Merged

add dihedral multi/harmonic/kk#4482
akohlmey merged 1 commit into
lammps:developfrom
rbberger:dihedral_multi_harmonic_kokkos

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@rbberger rbberger commented Feb 28, 2025

Summary

Adds a Kokkos version of multi/harmonic. Basically a copy of harmonic/kk with modified equations.

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Author(s)

@rbberger

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

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

@rbberger rbberger force-pushed the dihedral_multi_harmonic_kokkos branch 3 times, most recently from 5127317 to ba52f59 Compare February 28, 2025 07:04
@rbberger rbberger force-pushed the dihedral_multi_harmonic_kokkos branch from ba52f59 to 1f4b955 Compare February 28, 2025 07:07
@rbberger rbberger marked this pull request as ready for review February 28, 2025 07:14
@rbberger rbberger requested a review from stanmoore1 as a code owner February 28, 2025 07:14
@akohlmey akohlmey moved this to In Progress in LAMMPS Pull Requests Feb 28, 2025
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Code looks good to me.

@akohlmey akohlmey moved this from In Progress to Ready for Merge in LAMMPS Pull Requests Apr 2, 2025
@akohlmey akohlmey assigned akohlmey and unassigned stanmoore1 Apr 2, 2025
@akohlmey akohlmey merged commit 8defe0e into lammps:develop Apr 2, 2025
@akohlmey akohlmey deleted the dihedral_multi_harmonic_kokkos branch April 2, 2025 01:37
@github-project-automation github-project-automation Bot moved this from Ready for Merge to Done in LAMMPS Pull Requests Apr 2, 2025
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3 participants