Merge pull request #120 from ReactionMechanismGenerator/input_fix

BugFix: Remove extra parentheses in gaussian input file
ReactionMechanismGenerator · Apr 29, 2019 · 44030c4 · 44030c4
2 parents feab6fb + dd278b1
commit 44030c4
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/arc/job/job.py b/arc/job/job.py
@@ -525,7 +525,7 @@ def write_input_file(self):
         if self.job_type in ['conformer', 'opt']:
             if self.software == 'gaussian':
                 if self.is_ts:
-                    job_type_1 = 'opt=(ts, calcfc, noeigentest, maxstep=5))'
+                    job_type_1 = 'opt=(ts, calcfc, noeigentest, maxstep=5)'
                 else:
                     job_type_1 = 'opt=(calcfc, noeigentest)'
                 if self.checkfile is not None: