bug fix for compute voronoi with triclinic simulation boxes

[sjplimp]

Summary

Fix a bug in compute voronoi for triclinic geometries where the bounding box needed for the Voro++ packages to accurately calculate Voronoi volumes in parallel was not accounting for the triclinic tilts in a robust way.

Related Issue(s)

This should fix #3335

Author(s)

Steve, using code change suggested by Joel Clemmer (Sandia)

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

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
• Suitable tests have been added to the unittest tree.
• A package specific README file has been included or updated
• One or more example input decks are included

Further Information, Files, and Links

[stanmoore1]

I approve

[sjplimp]

@jtclemm Can you verify this fixes the issue you posted with whatever test problems you have. I think your code alteration is correct, and simply pasted it into compute_voronoi_atom.cpp

[jtclemm]

@jtclemm Can you verify this fixes the issue you posted with whatever test problems you have. I think your code alteration is correct, and simply pasted it into compute_voronoi_atom.cpp

Thanks Steve, the changes in this branch work with all of the test cases I had.