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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 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
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athomps left a comment

I approve this change.

Show resolved Hide resolved src/pair_deprecated.cpp

akohlmey added some commits Dec 12, 2018

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akohlmey commented Dec 12, 2018

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. 👎

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rbberger commented Dec 12, 2018

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

@akohlmey akohlmey referenced this pull request Dec 12, 2018

Merged

Collected post stable patches #1242

4 of 4 tasks complete

@akohlmey akohlmey merged commit 444dcca into lammps:master Dec 29, 2018

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@akohlmey akohlmey deleted the akohlmey:remove-reax-meam branch Jan 9, 2019

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