Clean up

src/py4vasp/_raw/data.py

@@ -219,7 +219,7 @@ class Exciton:
     structure: Structure
     "The atomic structure to represent the densities."
     exciton_charge: VaspData
-    "The data of electronic charge and magnetization density."
+    "The data of exciton charge density."
 
 
 @dataclasses.dataclass

src/py4vasp/_raw/definition.py

@@ -298,7 +298,6 @@ def selections(quantity):
     required=raw.Version(6, 5),
     file="vaspout.h5",
     structure=Link("structure", "exciton"),
-    #structure=Link("structure", DEFAULT_SOURCE),
     exciton_charge=f"{group}/exciton_charge",
 )
 #
@@ -532,7 +531,7 @@ def selections(quantity):
 schema.add(
     raw.Topology,
     name="exciton",
-    required=raw.Version(6, 4),
+    required=raw.Version(6, 5),
     ion_types="results/supercell/ion_types",
     number_ion_types="results/supercell/number_ion_types",
 )

src/py4vasp/calculation/_exciton.py

@@ -3,8 +3,8 @@
 import numpy as np
 
 from py4vasp import _config, calculation, exception
-from py4vasp._third_party import graph, view
-from py4vasp._util import documentation, import_, index, select, slicing
+from py4vasp._third_party import view
+from py4vasp._util import documentation, import_, index, select
 from py4vasp.calculation import _base, _structure
 
 pretty = import_.optional("IPython.lib.pretty")
@@ -13,11 +13,10 @@
 _INTERNAL = "1"
 
 class Exciton(_base.Refinery, _structure.Mixin, view.Mixin):
-    """This class accesses exciton densities of VASP.
-
-    The exciton charge density can be calculation in the BSE/TDHf calculation.
-    With this class you can extract exciton charge densities.
+    """This class accesses exciton charge densities of VASP.
 
+    The exciton charge densities can be calculated via the BSE/TDHF algorithm in
+    VASP. With this class you can extract these charge densities.
     """
 
     @_base.data_access
@@ -116,7 +115,7 @@ def _create_map(self):
         excitons=self._raw_data.exciton_charge.shape[0]
         map_ = {
             str(choice): choice-1
-            for choice in range(1,excitons)
+            for choice in range(1,excitons+1)
         }
         return map_