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Nexus: Add Tref (initial tilematrix) argument to optimal_tilematrix #3141

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merged 3 commits into from
Apr 27, 2021

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mcbennet
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Proposed changes

This PR allows the user to supply an initial guess for the optimal tiling matrix. In some cases, this will allow the user to reach better tilings without the need to increase the search space through the dn argument.

What type(s) of changes does this code introduce?

  • New feature

Does this introduce a breaking change?

  • No. All nxs-test cases pass.

What systems has this change been tested on?

Desktop

Checklist

  • Yes. This PR is up to date with current the current state of 'develop'
  • N/A. Code added or changed in the PR has been clang-formatted
  • No. This PR adds tests to cover any new code, or to catch a bug that is being fixed
  • No. Documentation has been added (if appropriate)

@mcbennet mcbennet changed the title [WIP] Add Tref (initial tilematrix) argument to optimal_tilematrix Add Tref (initial tilematrix) argument to optimal_tilematrix Apr 27, 2021
@qmc-robot
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Can one of the admins verify this patch?

@mcbennet mcbennet changed the title Add Tref (initial tilematrix) argument to optimal_tilematrix Nexus: Add Tref (initial tilematrix) argument to optimal_tilematrix Apr 27, 2021
@ye-luo
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ye-luo commented Apr 27, 2021

Okay to test

@ye-luo ye-luo enabled auto-merge April 27, 2021 21:52
@ye-luo ye-luo merged commit b8f8332 into QMCPACK:develop Apr 27, 2021
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3 participants