From 701faacecb31c7c72f59a0bf0aa813c12e56dc45 Mon Sep 17 00:00:00 2001 From: Janosh Riebesell Date: Wed, 7 Aug 2024 13:39:52 -0400 Subject: [PATCH] map(str, box) --- src/pymatgen/io/packmol.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/pymatgen/io/packmol.py b/src/pymatgen/io/packmol.py index eab0bd094c6..9ff4caed216 100644 --- a/src/pymatgen/io/packmol.py +++ b/src/pymatgen/io/packmol.py @@ -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