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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>
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src/pymatgen/io/aims/inputs.py

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@@ -584,7 +584,7 @@ def get_content(
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content += cube.control_block
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content += f"{lim}\n\n"
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species_defaults = self._parameters.get("species_dir", "")
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species_defaults = self._parameters.get("species_dir", SETTINGS.get("AIMS_SPECIES_DIR", ""))
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if not species_defaults:
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raise KeyError("Species' defaults not specified in the parameters")
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