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add psi4/out format#457

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wanghan-iapcm merged 5 commits intodeepmodeling:develfrom
njzjz:psi4
Apr 23, 2023
Merged

add psi4/out format#457
wanghan-iapcm merged 5 commits intodeepmodeling:develfrom
njzjz:psi4

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@njzjz njzjz commented Apr 22, 2023

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codecov bot commented Apr 22, 2023

Codecov Report

Patch coverage: 100.00% and project coverage change: +0.14 🎉

Comparison is base (52b6eaa) 82.53% compared to head (dd6d285) 82.67%.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel     #457      +/-   ##
==========================================
+ Coverage   82.53%   82.67%   +0.14%     
==========================================
  Files          68       70       +2     
  Lines        6230     6281      +51     
==========================================
+ Hits         5142     5193      +51     
  Misses       1088     1088              
Impacted Files Coverage Δ
dpdata/plugins/psi4.py 100.00% <100.00%> (ø)
dpdata/psi4/output.py 100.00% <100.00%> (ø)

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@wanghan-iapcm wanghan-iapcm merged commit 593bb1e into deepmodeling:devel Apr 23, 2023
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2 participants