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Minor bug corrections in the SPIN package #1570

Merged
merged 2 commits into from Jul 19, 2019
Merged

Minor bug corrections in the SPIN package #1570

merged 2 commits into from Jul 19, 2019

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julient31
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@julient31 julient31 commented Jul 18, 2019 •
edited by akohlmey

Summary

  • added a documentation for read_data spin (in doc/src/read_data.txt)
  • corrected an error in pack/unpack data hybrid in atom_vec_spin.cpp
  • added mask flags in fix_nve_spin::initial_integrate
  • removed spin renormalization in min_spin (was causing a bug when min/spin was used with hybrid style, as some spins may have a norm equal to 0)

Related Issues

Some bug corrections and a documentation improvement.

Author(s)

Julien Tranchida (jtranch@sandia.gov)

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

Overall very minor changes and corrections.

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
  • A package specific README file has been included or updated
  • One or more example input decks are included

@julient31
Commit JT 071719
60ebc08 
- added doc for read_data spin
- corrected an error in pack/unpack data hybrid
- added mask flags in fix_nve_spin::initial_integrate
- removed spin renormalization in min_spin (was causing a bug)
@julient31 julient31 changed the title Commit JT 071719 Minor bug corrections in the SPIN package Jul 18, 2019
@julient31
Commit2 JT 071719
22b73a3 
- added 'magnetons' to false-positive for doc
@julient31 julient31 requested a review from rbberger as a code owner July 18, 2019 04:16
@akohlmey akohlmey self-assigned this Jul 18, 2019
@akohlmey akohlmey added this to the Stable Release Summer 2019 milestone Jul 18, 2019
@akohlmey akohlmey merged commit 92b53c7 into lammps:master Jul 19, 2019
@julient31 julient31 deleted the spin-update branch March 30, 2020 17:04
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Reviewers

@athomps athomps athomps approved these changes

@rbberger rbberger Awaiting requested review from rbberger

@stanmoore1 stanmoore1 Awaiting requested review from stanmoore1

@sjplimp sjplimp Awaiting requested review from sjplimp

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@akohlmey akohlmey

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bug maintenance spin_package
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Stable Release Summer 2019
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@julient31 @athomps @akohlmey