Added function get_geometry_steps_of_optimisation

maurergroup · Oct 29, 2024 · 222ed47 · 222ed47
1 parent 71fe4dd
commit 222ed47
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/dfttools/geometry.py b/dfttools/geometry.py
@@ -921,6 +921,7 @@ def center_coordinates(
     def move_all_atoms(self, shift):
         """
         Translates the whole geometry by vector 'shift'
+
         """
         self.coords += shift