Added Iodine as element in Chemkin input file

ReactionMechanismGenerator · Dec 5, 2019 · 5ffd38a · 5ffd38a
1 parent b691b45
commit 5ffd38a
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/rmgpy/chemkin.pyx b/rmgpy/chemkin.pyx
@@ -2336,7 +2336,7 @@ def write_elements_section(f):
     s = 'ELEMENTS\n'
 
     # map of isotope elements with chemkin-compatible element representation:
-    elements = ('H', ('H', 2), ('H', 3), 'C', ('C', 13), 'O', ('O', 18), 'N', 'Ne', 'Ar', 'He', 'Si', 'S', 'Cl')
+    elements = ('H', ('H', 2), ('H', 3), 'C', ('C', 13), 'O', ('O', 18), 'N', 'Ne', 'Ar', 'He', 'Si', 'S', 'Cl', 'I')
     for el in elements:
         if isinstance(el, tuple):
             symbol, isotope = el