From b49c2018afd85e1052a4f539f0ffdb2b165fc4e1 Mon Sep 17 00:00:00 2001 From: Sean Colby Date: Fri, 19 Apr 2024 14:34:35 -0700 Subject: [PATCH] Return final geometry when parsing --- isicle/parse.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/isicle/parse.py b/isicle/parse.py index ee54bd1..9670d15 100644 --- a/isicle/parse.py +++ b/isicle/parse.py @@ -348,7 +348,7 @@ def _parse_geometry(self): Add docstring """ - return self.data['xyz'] + return self.data['xyz']['final'] def _parse_energy(self): """