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Fixed sign error on mu for semigrand variant #1143

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merged 1 commit into from Oct 3, 2018

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athomps commented Oct 2, 2018

Purpose

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

Author(s)

@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

n/a

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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