From 467214305402f05378d6c2998ee0aeb0d6e2a278 Mon Sep 17 00:00:00 2001 From: Toon Verstraelen Date: Thu, 20 Jun 2024 07:11:55 +0200 Subject: [PATCH] Fix one deepsource issue --- iodata/formats/molekel.py | 1 - 1 file changed, 1 deletion(-) diff --git a/iodata/formats/molekel.py b/iodata/formats/molekel.py index fb775719..1a2b919a 100644 --- a/iodata/formats/molekel.py +++ b/iodata/formats/molekel.py @@ -279,7 +279,6 @@ def prepare_dump(data: IOData): @document_dump_one("Molekel", ["atcoords", "atnums", "mo", "obasis"], ["atcharges"]) def dump_one(f: TextIO, data: IOData): """Do not edit this docstring. It will be overwritten.""" - # Header f.write("$MKL\n") f.write("#\n")