Fixed missing TotalEnergy import

NWChemEx · Jun 28, 2024 · bb561b6 · bb561b6
1 parent 276a0bd
commit bb561b6
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/python/structurefinder/pyberny/__init__.py b/src/python/structurefinder/pyberny/__init__.py
@@ -14,7 +14,7 @@
 
 import pluginplay as pp
 from friendzone.nwx2qcelemental import chemical_system_conversions
-from simde import EnergyNuclearGradientStdVectorD
+from simde import EnergyNuclearGradientStdVectorD, TotalEnergy
 from berny import Berny, geomlib, optimize
 import chemist
 import qcelemental as qcel