diff --git a/cp2kdata/block_parser/dipole.py b/cp2kdata/block_parser/dipole.py index eec9777..9eb4aca 100644 --- a/cp2kdata/block_parser/dipole.py +++ b/cp2kdata/block_parser/dipole.py @@ -13,6 +13,8 @@ re.VERBOSE ) +#TODO write a pytest for this + def parse_dipole_list(output_file): dipole_list = [] for match in DIPOLE_RE.finditer(output_file):