Add McGowan volumes for noble gases

This prevents getting ZeroDivisionErrors when running a liquid-phase simulation. Data obtained from Table 1 in Zhao et al., J. Chem. Inf. Comput. Sci. Vol. 43, p.1848. 2003 doi: 10.1021/ci0341114
ReactionMechanismGenerator · Oct 10, 2018 · e231e2f · e231e2f
1 parent 4d02fbe
commit e231e2f
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/input/solvation/libraries/solute.py b/input/solvation/libraries/solute.py
@@ -2809,7 +2809,7 @@
         E = 0.0,
         L = 0.0,
         A = 0.0,
-        V = 0.0,
+        V = 18.99,
     ),
     shortDesc = u"""""",
     longDesc = 
@@ -2828,7 +2828,7 @@
         E = 0.0,
         L = 0.0,
         A = 0.0,
-        V = 0.0,
+        V = 8.51,
     ),
     shortDesc = u"""""",
     longDesc = 
@@ -2847,7 +2847,7 @@
         E = 0.0,
         L = 0.0,
         A = 0.0,
-        V = 0.0,
+        V = 6.75,
     ),
     shortDesc = u"""""",
     longDesc =