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Lammps gjf small updates #1707

merged 6 commits into from Oct 8, 2019


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charlessievers commented Oct 8, 2019


Fixed some potential bugs with fix_dt_reset.cpp, reverted lines to LAMMPS syntax, and removed unnecessary comm->me==0 in line 243.

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Charles Sievers.


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

Please check the fields below as they are completed after the pull request has been submitted. Delete lines that don't apply

  • [ x] The feature or features in this pull request is complete
  • [ x] Licensing information is complete
  • [ x] Corresponding author information is complete
  • [ x] The source code follows the LAMMPS formatting guidelines
  • [ x] 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
  • [ x] The feature has been verified to work with the conventional build system
  • [ x] The feature has been verified to work with the CMake based build system
  • [ x] A package specific README file has been included or updated
  • [ x] One or more example input decks are included

Further Information, Files, and Links


@akohlmey akohlmey self-assigned this Oct 8, 2019
@akohlmey akohlmey changed the title Lammps gjf Lammps gjf small updates Oct 8, 2019
@akohlmey akohlmey requested review from athomps and sjplimp Oct 8, 2019
@akohlmey akohlmey added the update label Oct 8, 2019
sjplimp approved these changes Oct 8, 2019
@akohlmey akohlmey merged commit e77e286 into lammps:master Oct 8, 2019
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@charlessievers charlessievers deleted the charlessievers:lammps_gjf branch Oct 8, 2019
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