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JintaoWu98 committed May 22, 2024
1 parent 76551ce commit 765c8ee
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion arc/plotter.py
Original file line number Diff line number Diff line change
Expand Up @@ -939,7 +939,7 @@ def save_conformers_file(project_directory: str,
content += f'Conformers for {label}, optimized at the {level_of_theory} level:\n\n'
if before_optimized:
level_of_theory = level_of_theory.simple() if isinstance(level_of_theory, Level) else level_of_theory
content += f'Conformers for {label}, generated from RDKit:\n\n'
content += f'Conformers for {label}, generated at the {level_of_theory} level:\n\n'
for i, xyz in enumerate(xyzs):
content += f'conformer {i}:\n'
if xyz is not None:
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