Test data can now be analyzed without Gaussian or MacroModel installed

gaosiquan123 · May 7, 2020 · 9790077 · 9790077
1 parent 83dbd65
commit 9790077
Showing 1 changed file with 5 additions and 2 deletions.
diff --git a/Gaussian.py b/Gaussian.py
@@ -284,6 +284,11 @@ def RunCalcs(GausJobs):
 
     NCompleted = 0
     Completed = []
+
+    if len(GausJobs) == 0:
+        print("There were no jobs to run.")
+        return Completed
+
     gausdir = os.environ['GAUSS_EXEDIR']
     GausPrefix = gausdir + "/g09 < "
 
@@ -302,8 +307,6 @@ def RunCalcs(GausJobs):
 
     if NCompleted > 0:
         print(str(NCompleted) + " Gaussian jobs completed successfully.")
-    elif len(GausJobs) == 0:
-        print("There were no jobs to run.")
 
     return Completed