deepmodeling
Supplementary unittests for merge_traj function to detect issue #957
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.
When issue #957 exists:
When issue #957 is solved:
Codecov Report
Base: 39.42% // Head: 39.48% // Increases project coverage by +0.05% :tada:
Coverage data is based on head (
09f07e5) compared to base (a4b876b). Patch coverage: 53.33% of modified lines in pull request are covered.
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
| Impacted Files | Coverage Δ | |
|---|---|---|
| dpgen/simplify/simplify.py | 0.00% <0.00%> (ø) |
|
| dpgen/generator/run.py | 65.09% <100.00%> (+0.38%) |
:arrow_up: |
| dpgen/simplify/arginfo.py | 100.00% <100.00%> (ø) |
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I think https://github.com/deepmodeling/dpgen/pull/958 can be replaced by this pr. @HuangJiameng