Save stresses

pyiron · Sep 9, 2021 · d1d3ed1 · d1d3ed1
1 parent 706d5cb
commit d1d3ed1
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/pyiron_atomistics/vasp/base.py b/pyiron_atomistics/vasp/base.py
@@ -2017,6 +2017,7 @@ def collect(self, directory=os.getcwd(), sorted_indices=None):
                 raise VaspCollectError("Error in parsing OUTCAR")
             log_dict["energy_tot"] = self.outcar.parse_dict["energies"]
             log_dict["temperature"] = self.outcar.parse_dict["temperatures"]
+            log_dict["stresses"] = self.outcar.parse_dict["stresses"]
             log_dict["pressures"] = self.outcar.parse_dict["pressures"]
             log_dict["forces"] = self.outcar.parse_dict["forces"]
             log_dict["positions"] = self.outcar.parse_dict["positions"]