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upgrade to LAMMPS June 2022 (Don't merge yet)#49

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snikolov3 wants to merge 8452 commits into
DEMSI-Project:masterfrom
snikolov3:june_2022
Open

upgrade to LAMMPS June 2022 (Don't merge yet)#49
snikolov3 wants to merge 8452 commits into
DEMSI-Project:masterfrom
snikolov3:june_2022

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Summary

Related Issues

Author(s)

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

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

schererc and others added 30 commits May 26, 2022 15:19
Added (forgotten) line "u=pm->mltable->efile[itable];" to compute energy due to read in table values
Eliminated bad torsion forces for sin(theta) = 0
With this check we only do automatic downloads if the check passes
…ings differently

this removes an inconsistent overload due to mismatch of arguments
this is a post-stable feature and would require a general rewrite of offline processing
Collected small changes for the next patch release
jrgissing and others added 30 commits July 15, 2022 12:28
First round of maintenance fixes for the stable release
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