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@bannanc bannanc released this 14 Feb 17:29
· 58 commits to master since this release
v1.0.8
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Learn about vigilant mode.

In our paper about the SMIRNOFF format, we introduced a non-zero hydrogen parameter for polar hydrogens. Unfortunately, in the first introduction of these terms in our official force field the rmin_half and epsilon parameters were reversed. Here, we fix that small human error. This release also includes a fix for bond parameters between hydrogen and divalent carbons (issue #81) and fixed SMIRKS patterns for angle parameters around trivalent carbon in 5-membered rings (issue #84).

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