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Meredith-Lab / volcalc

volcalc: Calculate Volatility of Chemical Compounds
https://meredith-lab.github.io/volcalc/
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Fix for #91 #92

Closed Aariq closed 9 months ago

Aariq commented 9 months ago

Fixes #91 by adding a rowwise() in simpol1() to sum across columns correctly. Also adds tests to guard against reversion.

Didn't add this to NEWS.md because the bug was introduced in this version.