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MDI new functions #3218

Merged
merged 5 commits into from Apr 15, 2022
Merged

MDI new functions #3218

merged 5 commits into from Apr 15, 2022

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sjplimp
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@sjplimp sjplimp commented Apr 14, 2022

Summary

Small mods to MDI support in LAMMPS to use a couple new MDI convenience functions - makes the LAMMPS code cleaner

Related Issue(s)

N/A

Author(s)

Steve

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

Should not

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

@sjplimp
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sjplimp commented Apr 14, 2022

@akohlmey not yet ready to merge this - a couple things are not working, need to confer with Taylor

@sjplimp
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sjplimp commented Apr 14, 2022

@akohlmey ok, I think this is ready to go now - note that it uses the newest 1.3.2 version of MDI in lib/mdi/Install.py - feel free to update anything there if need be

@akohlmey akohlmey self-assigned this Apr 14, 2022
@akohlmey akohlmey added this to the Stable Release Summer 2022 milestone Apr 14, 2022
@akohlmey
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@akohlmey ok, I think this is ready to go now - note that it uses the newest 1.3.2 version of MDI in lib/mdi/Install.py - feel free to update anything there if need be

Thanks for the note. Ran the files through clang-format and updated URLs and MD5 hashes for the new library version.
Now waiting for the tests to clear, but the test servers are quite busy right now...

@akohlmey akohlmey merged commit 21f24ef into develop Apr 15, 2022
@akohlmey akohlmey deleted the mdi-new-functions branch April 15, 2022 00:49
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2 participants