From ee49be846fed9caa51c16ac7fd77dbbacebd19e5 Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Fri, 17 Jun 2016 10:23:18 -0400 Subject: [PATCH] In statmech groups.py changed frequencies of the Nitro group. This group was originally assigned 6 frequencies, while it is only allowed a maximum of 5 (see https://dspace.mit.edu/handle/1721.1/59876). The weakest frequency range of 1545-1555 1/cm was hence removed. --- input/statmech/groups/groups.py | 1 - 1 file changed, 1 deletion(-) diff --git a/input/statmech/groups/groups.py b/input/statmech/groups/groups.py index e5deaea39f..4fbb63ef2a 100644 --- a/input/statmech/groups/groups.py +++ b/input/statmech/groups/groups.py @@ -936,7 +936,6 @@ """, statmech = GroupFrequencies( frequencies = [ - (1545, 1555, 1), (1360, 1385, 1), (915, 1000, 1), (850, 920, 1),