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Weighted solute-solvent contributions #15

Merged
merged 7 commits into from
Dec 26, 2024

Add solvent only reordering to output.

7a1dc77
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Merged

Weighted solute-solvent contributions #15

Add solvent only reordering to output.
7a1dc77
Select commit
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Failed to load commit list.
Codecov / codecov/project failed Dec 26, 2024 in 1s

57.78% (-0.16%) compared to fd0badb

View this Pull Request on Codecov

57.78% (-0.16%) compared to fd0badb

Details

Codecov Report

Attention: Patch coverage is 40.54054% with 22 lines in your changes missing coverage. Please review.

Project coverage is 57.78%. Comparing base (fd0badb) to head (7a1dc77).

Files with missing lines Patch % Lines
clusttraj/io.py 28.00% 18 Missing ⚠️
clusttraj/distmat.py 66.66% 4 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master      #15      +/-   ##
==========================================
- Coverage   57.94%   57.78%   -0.16%     
==========================================
  Files           7        7              
  Lines         573      604      +31     
==========================================
+ Hits          332      349      +17     
- Misses        241      255      +14     

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