Changes in src/molecule_geometry.cpp [f221e3:712886]

File:

• src/molecule_geometry.cpp (modified) (1 diff)

src/molecule_geometry.cpp

@@ -274 +274 @@
   // obtain first column, eigenvector to biggest eigenvalue
   Vector BiggestEigenvector(InertiaTensor.column(Eigenvalues.SmallestComponent()));
-  Vector DesiredAxis(Axis.getNormalized());
+  Vector DesiredAxis(Axis);
 
   // Creation Line that is the rotation axis