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Always compute freeenergy if not present and required attributes are available #1412

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Merged
merged 1 commit into from
Apr 28, 2024

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First part of #1288.

@berquist berquist added this to the v2.0a milestone Apr 28, 2024
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codecov bot commented Apr 28, 2024

Codecov Report

Attention: Patch coverage is 50.00000% with 1 lines in your changes are missing coverage. Please review.

Project coverage is 81.58%. Comparing base (134cd06) to head (245f57b).
Report is 1 commits behind head on master.

Files Patch % Lines
cclib/parser/logfileparser.py 50.00% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master    #1412      +/-   ##
==========================================
- Coverage   81.59%   81.58%   -0.01%     
==========================================
  Files          73       73              
  Lines       14962    14963       +1     
==========================================
  Hits        12208    12208              
- Misses       2754     2755       +1     

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@berquist
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Codecov Report

Attention: Patch coverage is 50.00000% with 1 lines in your changes are missing coverage. Please review.

Project coverage is 81.58%. Comparing base (134cd06) to head (245f57b).
Report is 1 commits behind head on master.

Files Patch % Lines
cclib/parser/logfileparser.py 50.00% 1 Missing ⚠️
Additional details and impacted files

☔ View full report in Codecov by Sentry. 📢 Have feedback on the report? Share it here.

Coverage will increase with a significant test overhaul in a follow-up PR.

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