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Enable use of fix halt for minimizations #1164

merged 2 commits into from Oct 23, 2018


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akohlmey commented Oct 19, 2018


Fix halt can now also be used with minimizations


Axel Kohlmeyer (Temple U)

Backward Compatibility


Implementation Notes

Since minimization has no equivalent to Fix::end_of_step(), we use Fix::min_post_force() and use a check, that this function is called only once per (outer) minimization step.

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
  • The source code follows the LAMMPS formatting guidelines

@akohlmey akohlmey added this to the Stable Release Fall 2018 milestone Oct 19, 2018

@akohlmey akohlmey self-assigned this Oct 19, 2018

@akohlmey akohlmey requested review from rbberger , stanmoore1 and sjplimp Oct 19, 2018

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sjplimp left a comment

looks good

@akohlmey akohlmey merged commit 6107f00 into lammps:master Oct 23, 2018

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@akohlmey akohlmey deleted the akohlmey:fix-halt-for-minimize branch Oct 23, 2018

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