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minor fix
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tools/molden/molden.py

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -905,7 +905,8 @@ def moldengen(folder: str, ndigits=3, ngto=7, rel_r=2, fmolden="ABACUS.molden"):
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import numpy as np
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files = os.listdir(folder)
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assert ("STRU" in files) and ("INPUT" in files) and ("KPT" in files)
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assert ("STRU" in files) and ("INPUT" in files) and ("KPT" in files),\
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"STRU, INPUT, KPT files are required in the folder."
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cwd = os.path.abspath(os.getcwd())
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os.chdir(folder)
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####################

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