Update H2O.APMO.FCI.py

efposadac · Feb 17, 2024 · dd848e2 · dd848e2
1 parent 01ca30c
commit dd848e2
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/test/H2O.APMO.FCI.py b/test/H2O.APMO.FCI.py
@@ -40,7 +40,7 @@
 diffTotalEnergy = abs(refTotalEnergy - totalEnergy)
 diffFCIEnergy = abs(refFCIEnergy - FCIEnergy)
 
-if (diffTotalEnergy <= 1E-8 and diffFCIEnergy <= 1E-8):
+if (diffTotalEnergy <= 1E-8 and diffFCIEnergy <= 1E-6):
  print(testName + str_green(" ... OK"))
 else:
  print(testName + str_red(" ... NOT OK"))