Remove group_name stragglers

pyiron · Aug 22, 2023 · cd61092 · cd61092
1 parent 4686b00
commit cd61092
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Showing 2 changed files with 3 additions and 5 deletions.
diff --git a/pyiron_atomistics/dft/waves/electronic.py b/pyiron_atomistics/dft/waves/electronic.py
@@ -524,7 +524,7 @@ def _from_hdf(self, hdf, version=None):
             hdf: Path to the hdf5 file/group in the file
             version: which version of this class was written to the HDF file
         """
-        if "dos" not in hdf[group_name].list_groups():
+        if "dos" not in hdf.list_groups():
             self.from_hdf_old(hdf=hdf[".."], group_name="electronic_structure")
         else:
             nodes = hdf.list_nodes()

diff --git a/pyiron_atomistics/vasp/base.py b/pyiron_atomistics/vasp/base.py
@@ -2571,8 +2571,7 @@ def generic_output_dict_to_hdf(data_dict, hdf, group_name="generic"):
             if "bands" in data_dict["dft"].keys():
                 electronic_structure_dict_to_hdf(
                     data_dict=data_dict["dft"]["bands"],
-                    hdf=hdf_dft,
-                    group_name="bands",
+                    hdf=hdf_dft.create_group("bands")
                 )
 
 
@@ -2620,8 +2619,7 @@ def output_dict_to_hdf(data_dict, hdf, group_name="output"):
         if "electronic_structure" in data_dict.keys():
             electronic_structure_dict_to_hdf(
                 data_dict=data_dict["electronic_structure"],
-                hdf=hdf5_output,
-                group_name="electronic_structure",
+                hdf=hdf5_output.create_group("electronic_structure")
             )
 
         dict_group_to_hdf(data_dict=data_dict, hdf=hdf5_output, group="outcar")