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merge#33

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Adrian-Diaz wants to merge 3768 commits intoUSER-CAC-Mergefrom
master
Open

merge#33
Adrian-Diaz wants to merge 3768 commits intoUSER-CAC-Mergefrom
master

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Summary

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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

akohlmey and others added 30 commits April 16, 2022 11:17
…re options for units, ensured that qqrd2e be included in efield in several pair styles, and updated the fix polarize doc page
Fix file reader bug in fix ttm/mod
Add fasthtml target for faster testing of .rst to .html translation
akohlmey and others added 30 commits May 3, 2022 11:02
these are required changes for adding NWChem couping support as a fix
Kokkos accelerated variant for adp pair style
Implement variable option for delete_atoms
Implement a aveabs and sumabs reduce command
Collected small changes and fixes for the next patch release
Add time option to the "reset_timestep" command and make the "time" property restartable
Step version strings for the next patch release
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