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Add single/improper to create_bonds #1706

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merged 3 commits into from Oct 8, 2019

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@TOFarmer
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TOFarmer commented Oct 8, 2019

Summary

Modified create_bonds so that a single improper can be created with single/improper. This makes create_bonds complete as all bonded styles can now be created.

Modified create_bonds documentation to reflect changes.

Related Issues

fixes #1705

Author(s)

Thomas Farmer, ISIS Neutron and Muon Source, United Kingdom.

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

Has not been tested but highly likely to be backwards compatible.

Implementation Notes

Minor modification which effectively duplicates and modifies the existing single_bond, single_angle, and single_dihedral functions.

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

Further Information, Files, and Links

None

@akohlmey akohlmey self-assigned this Oct 8, 2019
@akohlmey akohlmey requested review from sjplimp and athomps Oct 8, 2019
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akohlmey commented Oct 8, 2019

@TOFarmer thanks for your contribution. Did a few additional tweaks to the docs. This should get in easily.

@sjplimp
sjplimp approved these changes Oct 8, 2019
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sjplimp left a comment

thanks for adding this feature

@akohlmey akohlmey merged commit 4f57332 into lammps:master Oct 8, 2019
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