- Remove lowest visualization layer with independent atoms

- Change labels
nomad-coe · Nov 21, 2023 · b24f124 · b24f124
1 parent f2c3c94
commit b24f124
Showing 1 changed file with 2 additions and 13 deletions.
diff --git a/electronicparsers/vasp/parser.py b/electronicparsers/vasp/parser.py
@@ -1398,21 +1398,10 @@ def parse_corehole(self) -> (Union[CoreHole, None], Union[AtomsGroup, None], int
                 **dict(zip(corehole_map.keys(), nomad_core_holes)),
             ),
             AtomsGroup(
-                label=elem_label,
-                type='core_hole',
+                label='core-hole',
+                type='active_atom',
                 atom_indices=atom_ids,
                 n_atoms=len(atom_ids),
-                atoms_group=[
-                    AtomsGroup(
-                        label='core-hole',
-                        type='atom',
-                        atom_indices=[i],
-                        n_atoms=1,
-                        composition_formula=elem_label,
-                        is_molecule=False,
-                    )
-                    for i in atom_ids[:1]
-                ],
             ),
             elem_id,
         )