diff --git a/iodata/formats/molden.py b/iodata/formats/molden.py index 725a0855..440ea63b 100644 --- a/iodata/formats/molden.py +++ b/iodata/formats/molden.py @@ -876,7 +876,7 @@ def dump_one(f: TextIO, data: IOData): irreps, ) else: - raise AssertionError("This should not happen because of prepare_dump") + raise RuntimeError("This should not happen because of prepare_dump") def _dump_helper_orb(f, spin, occs, coeffs, energies, irreps):