diff --git a/parser/parser-lammps/LammpsLogParser.py b/parser/parser-lammps/LammpsLogParser.py index 63e03feb5c8fce6ea24850f640365e00aa67c0f3..192a2535b7486167c8d0ab34f230e5c999345134 100644 --- a/parser/parser-lammps/LammpsLogParser.py +++ b/parser/parser-lammps/LammpsLogParser.py @@ -762,7 +762,7 @@ class LammpsMainParser(MainHierarchicalParser): for j in moleculeTypeInfo[i][1]: atom_in_molecule_name.append([ self.dataSuperContext.mass_xyz[j-1], j ] ) # Here atom_in_molecule_name is atomic number plus an integer index - p.addArrayValues('atom_in_molecule_name', np.asarray(atom_in_molecule_name)) + # p.addArrayValues('atom_in_molecule_name', np.asarray(atom_in_molecule_name)) atom_in_molecule_charge = [] for j in moleculeTypeInfo[i][1]: