Fix bug with species defaults (#4083)

* Fix bug with species defaults NEed to specify the default value properly * pre-commit auto-fixes --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
materialsproject · Oct 2, 2024 · b4bc03d · b4bc03d
1 parent d81568b
commit b4bc03d
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/pymatgen/io/aims/inputs.py b/src/pymatgen/io/aims/inputs.py
@@ -584,7 +584,7 @@ def get_content(
                 content += cube.control_block
 
         content += f"{lim}\n\n"
-        species_defaults = self._parameters.get("species_dir", "")
+        species_defaults = self._parameters.get("species_dir", SETTINGS.get("AIMS_SPECIES_DIR", ""))
         if not species_defaults:
             raise KeyError("Species' defaults not specified in the parameters")