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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

Tests: Another format of a 2D scan

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Merged

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

Tests: Another format of a 2D scan
69bf820
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Codecov / codecov/project succeeded Dec 29, 2024 in 0s

74.06% (+0.01%) compared to 6fda63e

View this Pull Request on Codecov

74.06% (+0.01%) compared to 6fda63e

Details

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 74.06%. Comparing base (6fda63e) to head (69bf820).

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     

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