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Bond/react: Arrhenius constraint #1734

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merged 4 commits into from Oct 25, 2019

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jrgissing commented Oct 20, 2019

Summary

add option for simple Arrhenius (temperature dependent) reaction probability

thanks to Pieter in 't Veld for suggestion

Related Issues

non

Author(s)

JG

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

Please state whether any changes in the pull request will break backward compatibility for inputs, and - if yes - explain what has been changed and why

Implementation Notes

copied fix_bond_react.tex and fix_bond_react.jpg from fix_rx

Post Submission Checklist

Please check the fields below as they are completed after the pull request has been submitted. Delete lines that don't apply

  • 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

Further Information, Files, and Links

Put any additional information here, attach relevant text or image files, and URLs to external sites (e.g. DOIs or webpages)

jrgissing added 3 commits Oct 20, 2019
rebase
@jrgissing jrgissing requested a review from rbberger as a code owner Oct 20, 2019
@akohlmey akohlmey self-assigned this Oct 20, 2019
@akohlmey akohlmey requested review from athomps and sjplimp Oct 20, 2019
@akohlmey akohlmey merged commit 3d7881b into lammps:master Oct 25, 2019
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@jrgissing jrgissing deleted the jrgissing:arrhenius_constraint branch Nov 17, 2019
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