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feat: reuse relaxation CHGCAR for init MD - #1963

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feat/issue-1836-reuse-relax-chgcar
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feat: reuse relaxation CHGCAR for init MD#1963
njzjz-bot wants to merge 1 commit into
masterfrom
feat/issue-1836-reuse-relax-chgcar

feat: reuse relaxation CHGCAR for init MD

a07853e
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Codecov / codecov/project succeeded Aug 23, 2026 in 0s

50.46% (+0.66%) compared to d5ce577

View this Pull Request on Codecov

50.46% (+0.66%) compared to d5ce577

Details

Codecov Report

❌ Patch coverage is 84.61538% with 2 lines in your changes missing coverage. Please review.
✅ Project coverage is 50.46%. Comparing base (d5ce577) to head (a07853e).

Files with missing lines Patch % Lines
dpgen/data/gen.py 83.33% 2 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master    #1963      +/-   ##
==========================================
+ Coverage   49.80%   50.46%   +0.66%     
==========================================
  Files          83       83              
  Lines       14986    14998      +12     
==========================================
+ Hits         7464     7569     +105     
+ Misses       7522     7429      -93     

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