Merge pull request #252 from ReactionMechanismGenerator/bde_example_p…

…atch Minor: update bde input example
ReactionMechanismGenerator · Nov 20, 2019 · 4ff6712 · 4ff6712
2 parents e87551d + 2277654
commit 4ff6712
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/examples/bde/input.yml b/examples/bde/input.yml
@@ -8,7 +8,7 @@ project: BDE_example_ibuprofen
 
 specific_job_type: bde
 
-level_of_theory: apfd/svp
+level_of_theory: apfd/def2svp
 model_chemistry: bmk/cbsb7 # a dummy model_chemistry required for Arkane processing
                            # this setting will not affect the BDE result which is a relative calculation
 use_bac: false