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DHS improvements #338

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merged 9 commits into from
May 17, 2024
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shoubhikraj
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Fixes recursion error in DHS/DHSGS. Also adds a fallback steepest descent step in case constrained quasi-Newton step cannot be calculated.


Checklist

  • The changes include an associated explanation of how/why
  • Test pass
  • Documentation has been updated
  • Changelog has been updated

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codecov bot commented May 12, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 97.40%. Comparing base (a0ff0e5) to head (b62fc25).

Additional details and impacted files
@@           Coverage Diff           @@
##           v1.4.3     #338   +/-   ##
=======================================
  Coverage   97.39%   97.40%           
=======================================
  Files         200      200           
  Lines       23062    23108   +46     
=======================================
+ Hits        22462    22509   +47     
+ Misses        600      599    -1     
Flag Coverage Δ
unittests 97.40% <100.00%> (+<0.01%) ⬆️

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@t-young31 t-young31 changed the base branch from master to v1.4.3 May 13, 2024 07:23
@shoubhikraj shoubhikraj marked this pull request as ready for review May 16, 2024 13:29
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@t-young31 t-young31 left a comment

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awesome 🚀

autode/bracket/dhs.py Outdated Show resolved Hide resolved
@shoubhikraj shoubhikraj merged commit 598b2dc into duartegroup:v1.4.3 May 17, 2024
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@shoubhikraj shoubhikraj deleted the dhs-improvements branch May 17, 2024 11:59
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2 participants