diff --git a/src/mindlessgen/qm/tm.py b/src/mindlessgen/qm/tm.py index 3ab919d..1579602 100644 --- a/src/mindlessgen/qm/tm.py +++ b/src/mindlessgen/qm/tm.py @@ -157,7 +157,10 @@ def _run(self, temp_path: Path, arguments: list[str]) -> tuple[str, str, int]: tm_log_out = tm_out.stdout.decode("utf8", errors="replace") tm_log_err = tm_out.stderr.decode("utf8", errors="replace") - if "ridft : all done" not in tm_log_out: + if ( + "ridft : all done" not in tm_log_out + or "ridft did not converge!" in tm_log_out + ): raise sp.CalledProcessError( 1, str(self.ridft_path),