diff --git a/parser/parser-gaussian/parser_gaussian.py b/parser/parser-gaussian/parser_gaussian.py index 1f8f051d9c3f7fa3c3a4c70b224bc365886a5396..e4ce3eb3e1e56593de12f583dffa8f9045687f8e 100644 --- a/parser/parser-gaussian/parser_gaussian.py +++ b/parser/parser-gaussian/parser_gaussian.py @@ -45,7 +45,7 @@ mainFileDescription = SM( subFlags = SM.SubFlags.Sequenced, forwardMatch = True, subMatchers = [ - SM(r"\s*Charge =\s*(?P<total_charge>[-+0-9]+) Multiplicity =\s*(?P<target_multiplicity>[0-9]+)"), + SM(r"\s*Charge =\s*(?P<total_charge>[-+0-9]+) Multiplicity =\s*(?P<spin_target_multiplicity>[0-9]+)"), ] ), SM(name = 'geometry',