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Log the optimum ARMC cycle in get_best() and overlay_descriptor() #111

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merged 1 commit into from
May 7, 2020
Merged

Log the optimum ARMC cycle in get_best() and overlay_descriptor() #111

merged 1 commit into from
May 7, 2020

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@BvB93 BvB93 commented May 7, 2020

@BvB93 BvB93 added the enhancement New feature or request label May 7, 2020
@BvB93 BvB93 self-assigned this May 7, 2020
@BvB93 BvB93 merged commit 830735c into master May 7, 2020
@BvB93 BvB93 mentioned this pull request May 14, 2020
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BvB93 added a commit that referenced this pull request May 14, 2020
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Auto-FOX 0.8.2 (#113)
fa4923d 
* Fixed and generalized the forcefield parameter guessing procedures (#100 and #112).
* Log the optimum ARMC cycle in ``get_best()`` and ``overlay_descriptor()`` (#111).
* Fixed an issue where certain ADF atom-subset-permutations were ignored (#110).
* Aux error: Ensure that the summation over ``qm`` occurs row-wise (#108).
BvB93 added a commit that referenced this pull request Jun 4, 2020
@BvB93
Auto-FOX 0.8.2 (#113)
fafadba 
* Fixed and generalized the forcefield parameter guessing procedures (#100 and #112).
* Log the optimum ARMC cycle in ``get_best()`` and ``overlay_descriptor()`` (#111).
* Fixed an issue where certain ADF atom-subset-permutations were ignored (#110).
* Aux error: Ensure that the summation over ``qm`` occurs row-wise (#108).
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