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Adapt parse_nd_scan_energies() to a slightly different Gaussian 2D scan format #777

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merged 2 commits into from
Dec 30, 2024

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@alongd alongd commented Dec 6, 2024

A test was added with a trimmed log file

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codecov bot commented Dec 6, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 74.06%. Comparing base (6fda63e) to head (69bf820).
Report is 3 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #777      +/-   ##
==========================================
+ Coverage   74.05%   74.06%   +0.01%     
==========================================
  Files         101      101              
  Lines       28046    28054       +8     
  Branches     5872     5872              
==========================================
+ Hits        20769    20779      +10     
+ Misses       5803     5802       -1     
+ Partials     1474     1473       -1     
Flag Coverage Δ
unittests 74.06% <100.00%> (+0.01%) ⬆️

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@JintaoWu98 JintaoWu98 left a comment

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LGTM!

@JintaoWu98 JintaoWu98 merged commit 5518ed6 into main Dec 30, 2024
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@JintaoWu98 JintaoWu98 deleted the 2dsfix branch December 30, 2024 13:13
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2 participants