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merge PR #8 changes and other fixes#9

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gsalkuin merged 9 commits intoBPM-corotationalfrom
pr-8-bpm-corotational
Apr 3, 2026
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merge PR #8 changes and other fixes#9
gsalkuin merged 9 commits intoBPM-corotationalfrom
pr-8-bpm-corotational

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@gsalkuin gsalkuin commented Apr 2, 2026

This closes PR #8.

@gsalkuin gsalkuin marked this pull request as ready for review April 2, 2026 23:14
Copilot AI review requested due to automatic review settings April 2, 2026 23:14
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Pull request overview

This PR merges and consolidates the prior “corotational” BPM bond work (PR #8) into bond_style bpm/rotational, adding new runtime options for rotational reference frame and damping construction, plus updated documentation and a new example input.

Changes:

  • Extend bpm/rotational with selectable frame (average vs particle) and damping (derivative vs dem) modes and update restart I/O accordingly.
  • Remove the separate bpm/corotational bond style implementation files.
  • Add a new BPM wire example and update the bond_style bpm/rotational documentation to describe the new keywords and theory.

Reviewed changes

Copilot reviewed 6 out of 7 changed files in this pull request and generated 5 comments.

Show a summary per file
File Description
src/BPM/bond_bpm_rotational.h Updates the rotational bond style interface to support new frame/damping modes and revised history variables.
src/BPM/bond_bpm_rotational.cpp Implements average-frame formulation + derivative damping, adds on-the-fly bond history initialization, and updates coeff/settings/restart handling.
src/BPM/bond_bpm_corotational.h Removes the separate corotational bond style interface.
src/BPM/bond_bpm_corotational.cpp Removes the separate corotational bond style implementation.
examples/bpm/wires/in.bpm.wires Adds an example input demonstrating thin/coiled wire behavior with bpm/rotational.
doc/src/bond_bpm_rotational.rst Documents new frame/damping keywords, updates equations/notation, and adds a new reference.

gsalkuin and others added 2 commits April 2, 2026 19:25
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
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jtclemm commented Apr 3, 2026

Few more clean ups here from copilot: jtclemm@99e974c I think that covers everything it said that was correct.

Not sure how to add to this PR, but can just create another PR later.

@gsalkuin gsalkuin requested a review from jtclemm as a code owner April 3, 2026 15:25
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gsalkuin commented Apr 3, 2026

Few more clean ups here from copilot: jtclemm@99e974c I think that covers everything it said that was correct.

Not sure how to add to this PR, but can just create another PR later.

Thanks, I fetched it from your repo. I also gave you access to mine.

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Great, after this PR I think this code is pretty much good to go for an actual pull request whenever you are happy with it and want to proceed.

The only thing I wasn't sure about was how to tag the LAMMPS version in sentence when describing when it changed. But I'd just ask Axel that.

@gsalkuin gsalkuin merged commit 983de7b into BPM-corotational Apr 3, 2026
@gsalkuin gsalkuin deleted the pr-8-bpm-corotational branch April 3, 2026 18:10
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3 participants