correct the get_dof fun

qzhu2017 · Jul 22, 2023 · 7ee24ef · 7ee24ef
1 parent 66b4e41
commit 7ee24ef
Showing 1 changed file with 4 additions and 2 deletions.
diff --git a/pyxtal/wyckoff_site.py b/pyxtal/wyckoff_site.py
@@ -79,8 +79,10 @@ def _get_dof(self):
  """
  get the number of dof for the given structures:
  """
- freedom = np.trace(self.wp.ops[0].rotation_matrix) > 0
- self.dof = len(freedom[freedom==True])
+ self.dof = self.wp.get_dof()
+ #freedom = np.trace(self.wp.ops[0].rotation_matrix) > 0
+ #self.dof = len(freedom[freedom==True])
+ #self.dof = len(freedom[freedom==True])
 
 
  @classmethod