Weighted solute-solvent contributions #15
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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## master #15 +/- ##
==========================================
- Coverage 57.94% 57.78% -0.16%
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Files 7 7
Lines 573 604 +31
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+ Hits 332 349 +17
- Misses 241 255 +14 ☔ View full report in Codecov by Sentry. |
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This PR implements different weights for the solute and solvent with
--weight-solute, which can specify a float between 0 and 1 as the weight percentage of the solute (works only with-ns).