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Add option to restrict coordination number by group #1464

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merged 4 commits into from May 21, 2019

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commented May 16, 2019

Summary

Add option to restrict cutoff based compute coord/atom by using a second group-ID.

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

Yes

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

  • 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 added some commits May 16, 2019

@akohlmey akohlmey self-assigned this May 17, 2019

@akohlmey akohlmey added this to the Stable Release Spring 2019 milestone May 17, 2019

@akohlmey akohlmey requested review from sjplimp, athomps and stanmoore1 May 17, 2019

@akohlmey akohlmey marked this pull request as ready for review May 17, 2019

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Good.

@akohlmey akohlmey merged commit bd05228 into lammps:master May 21, 2019

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@akohlmey akohlmey deleted the akohlmey:group-group-coord-num branch May 21, 2019

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