We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
1 parent 575df11 commit 125cc60Copy full SHA for 125cc60
1 file changed
pyxdm/cli.py
@@ -213,7 +213,7 @@ def main() -> None:
213
input_path = Path(args.wfn_file + ".pyxdm")
214
output_file = input_path.with_suffix('.h5')
215
if all_results:
216
- write_h5_output(output_file, session, all_results, wall_time)
+ write_h5_output(output_file, session, all_results)
217
218
log_boxed_title("PyXDM terminated successfully! :)", logger=logger)
219
0 commit comments