Block regions with bounds defined by equal-style variables

[evoyiatzis]

Summary

Allows the definition of block regions with bounds defined by equal-style variables that can vary over time

Related Issue(s)

No related issue

Author(s)

Evangelos Voyiatzis (evoyiatzis@gmail.com)

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

No backward compatibility issues

Implementation Notes

Adaptation of init(), shape_update() and variable_check() methods for spherical regions (in region_sphere.cpp / region_sphere.h files) to the case of block regions. The RegBlock method has been also extended to check if any bound is defined as equal-style variable and the ~RegBlock() method deletes *char variables for block's bounds from memory .

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