update

mushroomfire · Dec 3, 2022 · f290ed2 · f290ed2
1 parent f65029e
commit f290ed2
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/src/lindemann_parameter.py b/src/lindemann_parameter.py
@@ -132,7 +132,9 @@ def compute(self):
         if self.only_globle:
             pos_mean = np.zeros(int(Natoms * (Natoms - 1) / 2), dtype=np.float64)
             pos_variance = np.zeros_like(pos_mean, dtype=pos_mean.dtype)
-            self.lindemann_trj = self._compute_globle(pos_list, pos_mean, pos_variance)
+            self.lindemann_trj = self._compute_globle(
+                self.pos_list, pos_mean, pos_variance
+            )
 
         elif self.need_frame:
             pos_mean = np.zeros(int(Natoms * (Natoms - 1) / 2), dtype=np.float64)