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Lammps gjf small updates #1707

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merged 6 commits into from Oct 8, 2019

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@charlessievers
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charlessievers commented Oct 8, 2019

Summary

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

Related Issues

N/A

Author(s)

Charles Sievers.

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

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Implementation Notes

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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

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@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
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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