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Summary

Update the fix bond/react command to work with a REACTER JSON.

Note: I updated the tiny_nylon_json folder to reflect the changes. This included replacing the molecule JSONs and map files with a single REACTER json for each rxn1_stp* files.

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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

@salamaaya salamaaya requested a review from jrgissing as a code owner October 16, 2025 15:51
jtclemm and others added 26 commits November 28, 2025 15:31
For clarity and to avoid clashes, we should not define or use any
custom variables that have a name starting with CMAKE_
@salamaaya salamaaya force-pushed the fix-bond-react-json branch 2 times, most recently from a1b85a3 to ce0b4ca Compare December 3, 2025 13:35
akohlmey and others added 24 commits December 17, 2025 17:57
Signed-off-by: Jeremy FERSULA <[email protected]>
Support rendering graphics objects from fixes, add a dedicate graphics objects fix, and add and enable transparency handling in dump image
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10 participants