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new averaging option for fix temp/rescale #334

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merged 8 commits into from Apr 5, 2022

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sjplimp
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@sjplimp sjplimp commented Mar 7, 2022

Purpose

Add a new "ave" option to fix temp/rescale to allow the current thermal temperature used for velocity rescaling to be the average thermal temperature across all grid cells. Rather than the thermal terperature for each individual cell, as is the current case.

Author(s)

Steve

Backward Compatibility

N/A

Implementation Notes

Provide any relevant details about how the changes are implemented, how correctness was verified, how other features - if any - in SPARTA 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 SPARTA formatting guidelines

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@sjplimp
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sjplimp commented Mar 7, 2022

@stanmoore1 Please wait for Michael to test this. Once it is ready, this option can be added to the Kokkos version as well.

@sjplimp sjplimp requested a review from stanmoore1 March 7, 2022 22:00
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sjplimp commented Apr 5, 2022

just pushed a modified version which I think addresses both Qs

@stanmoore1 stanmoore1 self-assigned this Apr 5, 2022
@stanmoore1 stanmoore1 added the enhancement New feature or request label Apr 5, 2022
@stanmoore1 stanmoore1 merged commit 1a66ac4 into master Apr 5, 2022
@stanmoore1 stanmoore1 deleted the thermostat-global-option branch April 5, 2022 21:08
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2 participants