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Fix string format
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smcolby committed Dec 27, 2024
1 parent c84a825 commit 08301d2
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion isicle/io.py
Original file line number Diff line number Diff line change
Expand Up @@ -504,7 +504,7 @@ def save_mfj(path, geom):

# Check for charges in global properties
if ("energy" not in geom.__dict__) or ("charge" not in geom.__dict__):
raise KeyError("DFT energy calculation required. " "See isicle.qm.dft.")
raise KeyError("DFT energy calculation required. See `isicle.qm.dft`.")

# Get XYZ coordinates
xyz = pd.read_csv(
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