From 08301d2019d2343959e2c2f15c21f4387286159d Mon Sep 17 00:00:00 2001 From: Sean Colby Date: Fri, 27 Dec 2024 15:38:22 -0800 Subject: [PATCH] Fix string format --- isicle/io.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/isicle/io.py b/isicle/io.py index 121bac0..c7ab4d7 100644 --- a/isicle/io.py +++ b/isicle/io.py @@ -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(