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Collected small fixes and changes #4099

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merged 6 commits into from
Mar 14, 2024

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@akohlmey akohlmey commented Mar 10, 2024

Summary

This pull request combines multiple small fixes and changes.

Related Issue(s)

N/A

Author(s)

Axel Kohlmeyer, Temple U

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

N/A

Implementation Notes

The following individual changes are included:

  • print a meaningful error message instead of a file-not-found error when fix qeq/reaxff is used with the "reax/c" keyword instead of the required "reaxff"
  • use std::move() in a few cases to avoid redundant copies of temporaries
  • whitespace and coding style updates
  • silence some compiler warnings
  • fix a bug in the Kokkos version of pair hybrid when some atom types have more than one pair style assigned

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

@akohlmey akohlmey marked this pull request as ready for review March 14, 2024 01:39
@akohlmey akohlmey merged commit 252e707 into lammps:develop Mar 14, 2024
4 checks passed
@akohlmey akohlmey deleted the collected-small-fixes branch March 14, 2024 23:57
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4 participants