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initialize guess_atoms function PR #264

Merged
merged 11 commits into from
Aug 12, 2023

guess_elements() improvements

3f90ad2
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Merged

initialize guess_atoms function PR #264

guess_elements() improvements
3f90ad2
Select commit
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Codecov / codecov/project succeeded Aug 12, 2023 in 0s

81.29% (+0.17%) compared to 10922e8

View this Pull Request on Codecov

81.29% (+0.17%) compared to 10922e8

Details

Codecov Report

Merging #264 (3f90ad2) into develop (10922e8) will increase coverage by 0.17%.
The diff coverage is 100.00%.

@@             Coverage Diff             @@
##           develop     #264      +/-   ##
===========================================
+ Coverage    81.12%   81.29%   +0.17%     
===========================================
  Files           15       15              
  Lines         1960     1978      +18     
  Branches       296      297       +1     
===========================================
+ Hits          1590     1608      +18     
  Misses         278      278              
  Partials        92       92              
Files Changed Coverage Δ
mdpow/workflows/base.py 83.07% <100.00%> (+5.52%) ⬆️
mdpow/workflows/dihedrals.py 95.97% <100.00%> (+0.04%) ⬆️

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