Fix up typo in xtb_tools.opt

xiaoruiDong · Mar 14, 2024 · b856259 · b856259
1 parent e51b43a
commit b856259
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/rdmc/external/xtb_tools/opt.py b/rdmc/external/xtb_tools/opt.py
@@ -25,7 +25,7 @@
     TS_PATH_INP,
 )
 
-XTB_INPUT_FILE = Path(UTILS_PATH) / "xtb.inp")
+XTB_INPUT_FILE = Path(UTILS_PATH) / "xtb.inp"
 
 
 def read_xtb_json(json_file, mol):