Improved error messages when geometries could not be read from DFT files

gaosiquan123 · May 12, 2020 · 7f1e0bc · 7f1e0bc
1 parent 1418ae3
commit 7f1e0bc
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/NWChem.py b/NWChem.py
@@ -544,7 +544,7 @@ def ReadGeometries(Isomers, settings):
 
             iso.DFTConformers = [[] for x in iso.NMROutputFiles]
 
-            if len(iso.OptOutputFiles) < 1:
+            if len(iso.NMROutputFiles) < 1:
                 print("NWChem.py, ReadGeometries: No geometry optimisation output" +
                       " files found, geometries could not be read. Quitting.")
                 quit()