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Jaguar: implement entropy, enthalpy, and freeenergy#1416

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berquist merged 1 commit intocclib:masterfrom
berquist:jaguar-thermochemistry
Apr 28, 2024
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Jaguar: implement entropy, enthalpy, and freeenergy#1416
berquist merged 1 commit intocclib:masterfrom
berquist:jaguar-thermochemistry

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@berquist berquist added this to the v2.0a milestone Apr 28, 2024
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This will probably fail coverage because of #1412 (comment).

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codecov bot commented Apr 28, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 81.65%. Comparing base (de9185c) to head (b780697).
Report is 1 commits behind head on master.

Additional details and impacted files
@@            Coverage Diff             @@
##           master    #1416      +/-   ##
==========================================
+ Coverage   81.62%   81.65%   +0.02%     
==========================================
  Files          73       73              
  Lines       14980    14999      +19     
==========================================
+ Hits        12228    12247      +19     
  Misses       2752     2752              

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@berquist berquist merged commit 2f03416 into cclib:master Apr 28, 2024
@berquist berquist deleted the jaguar-thermochemistry branch April 28, 2024 17:08
@berquist berquist modified the milestones: v2.0a, v1.8.2 Oct 4, 2024
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