From d799c42d24e04512bf949d504c3dd8d759e320f2 Mon Sep 17 00:00:00 2001 From: Yuman Hordijk Date: Fri, 3 May 2024 13:51:59 +0200 Subject: [PATCH] Added the settings attribute --- src/tcutility/job/orca.py | 1 + 1 file changed, 1 insertion(+) diff --git a/src/tcutility/job/orca.py b/src/tcutility/job/orca.py index a7d4d857..0e5f99a7 100644 --- a/src/tcutility/job/orca.py +++ b/src/tcutility/job/orca.py @@ -12,6 +12,7 @@ class ORCAJob(Job): def __init__(self, use_tmpdir=False, *args, **kwargs): super().__init__(*args, **kwargs) + self.settings = results.Result() self.settings.main = set() self._charge = 0 self._multiplicity = 1