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from pymatgen .analysis .structure_matcher import StructureMatcher
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from pymatgen .core import Structure
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from pymatgen .entries .computed_entries import ComputedEntry
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+ from pymatgen .io .common import VolumetricData
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logger = logging .getLogger (__name__ )
@@ -203,7 +204,7 @@ def get_insertion_electrode_doc(
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@job
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def get_inserted_structures (
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prev_dir : Path | str ,
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- get_charge_density : Callable ,
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+ get_charge_density : Callable [[ str | Path ], VolumetricData ] ,
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inserted_species : ElementLike ,
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insertions_per_step : int = 4 ,
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charge_insertion_generator : ChargeInterstitialGenerator | None = None ,
@@ -213,7 +214,7 @@ def get_inserted_structures(
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Parameters
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----------
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prev_dir: The previous directory where the static calculation was performed.
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- get_charge_density: A function to get the charge density from a task document .
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+ get_charge_density: A function to get the charge density from a run directory .
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inserted_species: The species to insert.
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insertions_per_step: The maximum number of ion insertion sites to attempt.
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charge_insertion_generator: The charge insertion generator to use,
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