bug fixes

pyiron · Nov 23, 2023 · cff3d8c · cff3d8c
1 parent d9063bc
commit cff3d8c
Showing 1 changed file with 9 additions and 3 deletions.
diff --git a/pyiron_atomistics/atomistics/master/murnaghan.py b/pyiron_atomistics/atomistics/master/murnaghan.py
@@ -96,7 +96,9 @@ def parameter_list(self):
             )
         for strain in strains:
             basis = _strain_axes(
-                self._master.structure, self._master.input["axes"], strain
+                structure=self._master.structure,
+                axes=self._master.input["axes"],
+                volume_strain=strain
             )
             parameter_lst.append([1 + np.round(strain, 7), basis])
         return parameter_lst
@@ -151,7 +153,7 @@ def __init__(self, project, job_name):
             "relative volume variation around volume defined by ref_ham",
         )
         self.input["axes"] = (
-            ["x", "y", "z"],
+            ("x", "y", "z"),
             "Axes along which the strain will be applied",
         )
         self.input["strains"] = (
@@ -465,7 +467,11 @@ def _get_structure(self, frame=-1, wrap_atoms=True):
             old_vol = self.structure.get_volume()
             new_vol = self["output/equilibrium_volume"]
             vol_strain = new_vol / old_vol - 1
-            return _strain_axes(self.structure, self.input["axes"], vol_strain)
+            return _strain_axes(
+                structure=self.structure,
+                axes=self.input["axes"],
+                volume_strain=vol_strain
+            )
         elif frame == 0:
             return self.structure