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Remove REAX and MEAM packages #1254

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merged 17 commits into from Dec 29, 2018
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akohlmey
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@akohlmey akohlmey commented Dec 10, 2018

Purpose

This pull request fixes #1129 by implementing the changes listed in the issue and removing the MEAM and REAX packages from LAMMPS. The packages were discouraged from use for a while already.

Author(s)

Axel Kohlmeyer (Temple U)

Backward Compatibility

Inputs with pair_style reax commands will be given a message pointing out the last LAMMPS version that contained this pair style. They need to change the syntax to accommodate the pair_style reax/c syntax (and have to have the USER-REAXC package installed). Inputs with pair_style meam commands will be redirected transparently to the pair_style meam/c, provided the USER-MEAMC package is installed.

Implementation Notes

For details, please see issue #1129

Post Submission Checklist

Please check the fields below as they are completed

  • The feature or features in this pull request is complete
  • Suitable new documentation files and/or updates to the existing docs are included
  • One or more example input decks are included
  • The source code follows the LAMMPS formatting guidelines

athomps
athomps previously approved these changes Dec 10, 2018
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@athomps athomps left a comment

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I approve this change.

junghans
junghans previously approved these changes Dec 10, 2018
src/pair_deprecated.cpp Show resolved Hide resolved
@akohlmey
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not sure why i had to trigger the rebuild multiple times and only the merge conflict resolve did the trick to have the rebuild work without a failure and also handle the merge conflict. 👎

@rbberger
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@akohlmey applied some new settings to the PR builder. That should avoid this issue.

@akohlmey akohlmey mentioned this pull request Dec 12, 2018
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@akohlmey akohlmey merged commit 444dcca into lammps:master Dec 29, 2018
@akohlmey akohlmey deleted the remove-reax-meam branch January 9, 2019 01:30
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[Feature Request] Remove MEAM and REAX packages
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