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map(str, box)
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janosh committed Aug 7, 2024
1 parent f84c906 commit 701faac
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/pymatgen/io/packmol.py
Original file line number Diff line number Diff line change
Expand Up @@ -184,7 +184,7 @@ def get_input_set(
file_contents.append(f"output {self.outputfile}\n")

if box:
box_list: str = " ".join(str(i) for i in box)
box_list = " ".join(map(str, box))
else:
# Estimate the total volume of all molecules in cubic Å
net_volume: float = 0.0
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