diff --git a/tools/lib/data.py b/tools/lib/data.py index bfecf359..66e69262 100644 --- a/tools/lib/data.py +++ b/tools/lib/data.py @@ -95,7 +95,8 @@ class dataFileBase(object): data.molecule=mymolecule data.method=mymethod data.excitations.append(excitationValue(firstState,finst[0],val,type=finst[2],isUnsafe=unsafe)) - datalist.append(data) + for value in datacls.values(): + datalist.append(value) return datalist elif format==Format.COLUMN: subtablesindex=list()