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Add seed to packmol and rdkit #12

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merged 6 commits into from
Aug 22, 2024
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@PythonFZ PythonFZ commented Aug 22, 2024

@PythonFZ PythonFZ linked an issue Aug 22, 2024 that may be closed by this pull request
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Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 100.00%. Comparing base (52611de) to head (323ba9e).
Report is 2 commits behind head on main.

Additional details and impacted files
@@             Coverage Diff              @@
##             main       #12       +/-   ##
============================================
+ Coverage   64.88%   100.00%   +35.11%     
============================================
  Files           7         8        +1     
  Lines         487       154      -333     
============================================
- Hits          316       154      -162     
+ Misses        171         0      -171     

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@PythonFZ PythonFZ merged commit 321f5f9 into main Aug 22, 2024
3 of 4 checks passed
@PythonFZ PythonFZ deleted the 10-seed-for-rdkit-and-packmol branch August 22, 2024 13:22
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seed for rdkit and packmol
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