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Modify post_fp_cp2k, adapt to SCF not converged situation. #1562

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dulinhan wants to merge 5 commits into
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Merge branch 'devel' into modify_post_fp_cp2k

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Modify post_fp_cp2k, adapt to SCF not converged situation. #1562

Merge branch 'devel' into modify_post_fp_cp2k
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Codecov / codecov/project succeeded Apr 3, 2026 in 1s

49.60% (+0.00%) compared to 30bc1e5

View this Pull Request on Codecov

49.60% (+0.00%) compared to 30bc1e5

Details

Codecov Report

❌ Patch coverage is 62.50000% with 3 lines in your changes missing coverage. Please review.
✅ Project coverage is 49.60%. Comparing base (30bc1e5) to head (01581e9).
⚠️ Report is 128 commits behind head on master.

Files with missing lines Patch % Lines
dpgen/generator/run.py 62.50% 3 Missing ⚠️
Additional details and impacted files 
@@           Coverage Diff           @@
##           master    #1562   +/-   ##
=======================================
  Coverage   49.59%   49.60%           
=======================================
  Files          83       83           
  Lines       14844    14852    +8     
=======================================
+ Hits         7362     7367    +5     
- Misses       7482     7485    +3

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