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Bond/react delete atoms #1239

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merged 5 commits into from Dec 29, 2018

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jrgissing commented Dec 1, 2018

Purpose

allows deletion of a user-specified set of atoms, such as reaction by-products or other molecules.
thanks to several users for requesting this feature

Author(s)

JG

Backward Compatibility

yes

Implementation Notes

Provide any relevant details about how the changes are implemented, how correctness was verified, how other features - if any - in LAMMPS are affected

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

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 some commits Dec 1, 2018

bond/react: delete atoms
allows deleting of a user-specified set of atoms, based on topology

@akohlmey akohlmey self-requested a review Dec 3, 2018

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@akohlmey akohlmey removed the needs_work label Dec 3, 2018

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@jrgissing jrgissing requested a review from rbberger as a code owner Dec 7, 2018

@akohlmey akohlmey self-assigned this Dec 12, 2018

@akohlmey akohlmey referenced this pull request Dec 12, 2018

Merged

Collected post stable patches #1242

4 of 4 tasks complete

@akohlmey akohlmey merged commit cf3aee0 into lammps:master Dec 29, 2018

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