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Supplementary unittests for merge_traj function to detect issue #957 #961
Supplementary unittests for merge_traj function to detect issue #957 #961
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Codecov ReportBase: 39.42% // Head: 39.48% // Increases project coverage by
Additional details and impacted files@@ Coverage Diff @@
## devel #961 +/- ##
==========================================
+ Coverage 39.42% 39.48% +0.05%
==========================================
Files 99 99
Lines 17979 17989 +10
==========================================
+ Hits 7089 7103 +14
+ Misses 10890 10886 -4
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I think #958 can be replaced by this pr. @HuangJiameng |
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The added unittest is to check that the process of extracting the configuration from model_devi.out to generate the first principles calculation task is correct.
![j2vzixdu0g](https://user-images.githubusercontent.com/100290172/191417680-c3a20e89-e704-4dd9-aefd-5a05ae8c7406.jpg)
![uzvvdHkD29](https://user-images.githubusercontent.com/100290172/191417640-24f7bf6a-0d3d-4e29-bd9c-2e4f34e764d7.jpg)
When issue #957 exists:
When issue #957 is solved: