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pwscf: write floaing point number for atomic masses #1387

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merged 3 commits into from
Nov 10, 2023

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Yi-FanLi
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@Yi-FanLi Yi-FanLi commented Nov 5, 2023

write floating point number for atomic masses in QE input files

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codecov bot commented Nov 5, 2023

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (7a2251f) 48.58% compared to head (10de439) 48.99%.
Report is 12 commits behind head on devel.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #1387      +/-   ##
==========================================
+ Coverage   48.58%   48.99%   +0.40%     
==========================================
  Files          83       83              
  Lines       14681    14792     +111     
==========================================
+ Hits         7133     7247     +114     
+ Misses       7548     7545       -3     
Files Coverage Δ
dpgen/generator/lib/pwscf.py 62.80% <100.00%> (ø)

... and 15 files with indirect coverage changes

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@njzjz njzjz requested a review from wanghan-iapcm November 9, 2023 19:49
@wanghan-iapcm wanghan-iapcm merged commit 5fdb2ae into deepmodeling:devel Nov 10, 2023
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3 participants