From 557eaf69df8b550ecbea21190f24a8d671a3e016 Mon Sep 17 00:00:00 2001 From: Toon Verstraelen Date: Thu, 20 Jun 2024 07:09:05 +0200 Subject: [PATCH] Update iodata/formats/molden.py Co-authored-by: sourcery-ai[bot] <58596630+sourcery-ai[bot]@users.noreply.github.com> --- iodata/formats/molden.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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):