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pyiron · Feb 22, 2022 · 6de5241 · 6de5241
1 parent 9309f71
commit 6de5241
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/pyiron_atomistics/vasp/base.py b/pyiron_atomistics/vasp/base.py
@@ -2075,9 +2075,9 @@ def collect(self, directory=os.getcwd(), sorted_indices=None):
         if vasprun_working:
             log_dict["forces"] = self.vp_new.vasprun_dict["forces"]
             log_dict["cells"] = self.vp_new.vasprun_dict["cells"]
-            log_dict["volume"] = np.array([
-                np.linalg.det(cell) for cell in self.vp_new.vasprun_dict["cells"]
-            ])
+            log_dict["volume"] = np.array(
+                [np.linalg.det(cell) for cell in self.vp_new.vasprun_dict["cells"]]
+            )
             # log_dict["total_energies"] = self.vp_new.vasprun_dict["total_energies"]
             log_dict["energy_tot"] = self.vp_new.vasprun_dict["total_energies"]
             if "kinetic_energies" in self.vp_new.vasprun_dict.keys():