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add return type in docstring
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DanielYang59 committed Aug 6, 2024
1 parent 684520a commit 9370c6f
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3 changes: 3 additions & 0 deletions src/pymatgen/io/packmol.py
Original file line number Diff line number Diff line change
Expand Up @@ -155,6 +155,9 @@ def get_input_set(
box (list[float]): Box dimensions xlo, ylo, zlo, xhi, yhi, zhi, in Å. If set to None
(default), pymatgen will estimate the required box size based on the volumes of
the provided molecules.
Returns:
PackmolSet
"""
mapping: dict = {}
file_contents: str = "# Packmol input generated by pymatgen.\n"
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