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1 parent 57a8c16 commit 418e0ceCopy full SHA for 418e0ce
dpgen/data/gen.py
@@ -362,7 +362,7 @@ def make_super_cell_poscar(jdata):
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# minor bug for element symbol behind the coordinates
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from_struct = Structure.from_file(from_file)
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from_struct.make_supercell(super_cell)
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- from_struct.to("poscar", to_file)
+ from_struct.to(to_file, "poscar")
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# make system dir (copy)
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lines = open(to_file, "r").read().split("\n")
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