diff --git a/cp2kdata/block_parser/dipole.py b/cp2kdata/block_parser/dipole.py index 564bff8..769c86d 100644 --- a/cp2kdata/block_parser/dipole.py +++ b/cp2kdata/block_parser/dipole.py @@ -8,7 +8,7 @@ X=\s{,3}(?P[\s-]\d+\.\d+)\s Y=\s{,3}(?P[\s-]\d+\.\d+)\s Z=\s{,3}(?P[\s-]\d+\.\d+)\s - \s{,4}Total=\s{4}(?P[\s-]\d+\.\d+) + \s{4}Total=\s{,4}(?P[\s-]\d+\.\d+) """, re.VERBOSE )