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Fixed sign error on mu for semigrand variant #1143

merged 1 commit into from Oct 3, 2018


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athomps commented Oct 2, 2018


Fix obvious sign error on chemical potential (mu) used in semigrand variant of fix atom/swap. Fixes #1139


@sinamoeini and @athomps

Backward Compatibility

As explained in #1139 , this will change behavior substantially relative to old code. Old behavior can be recovered by changing sign of mu values in input script.

Implementation Notes


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

@athomps athomps requested a review from akohlmey Oct 2, 2018


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athomps commented Oct 2, 2018

Thanks again @sinamoeini for noticing this.

@akohlmey akohlmey self-assigned this Oct 3, 2018

@akohlmey akohlmey added the bugfix label Oct 3, 2018

@akohlmey akohlmey merged commit cdea896 into lammps:master Oct 3, 2018

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