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Improve DIC to Cartesian transformation #349

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merged 7 commits into from
Jul 20, 2024

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shoubhikraj
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Resolves #346


Checklist

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

@shoubhikraj shoubhikraj changed the base branch from master to v1.4.4 July 20, 2024 14:37
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codecov bot commented Jul 20, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 97.43%. Comparing base (eb3d475) to head (80e461c).

Additional details and impacted files
@@            Coverage Diff             @@
##           v1.4.4     #349      +/-   ##
==========================================
- Coverage   97.45%   97.43%   -0.02%     
==========================================
  Files         204      204              
  Lines       23626    23632       +6     
==========================================
+ Hits        23024    23027       +3     
- Misses        602      605       +3     
Flag Coverage Δ
unittests 97.43% <100.00%> (-0.02%) ⬇️

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@t-young31 t-young31 left a comment

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awesome 🚀

autode/opt/coordinates/dic.py Outdated Show resolved Hide resolved
autode/opt/coordinates/internals.py Outdated Show resolved Hide resolved
@shoubhikraj shoubhikraj merged commit 8be1e8a into duartegroup:v1.4.4 Jul 20, 2024
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@shoubhikraj shoubhikraj deleted the dic-ibt-improve branch July 20, 2024 18:38
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Successfully merging this pull request may close these issues.

DLC backtransform resets dihedral values
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