InterMol does not recognize coeff keywords in the lammps input files

[JoshuaSBrown]

Problem arises when the coefficients are defined in the input file as opposed to the data file, Intermol fails to initialize the variables which results in:

Traceback (most recent call last): File "../Documents/Intermol_Fork/InterMol/intermol/convert.py", line 811, in main() File "../Documents/Intermol_Fork/InterMol/intermol/convert.py", line 229, in main system, prefix = _load_lammps(lammps_in=lammps_in) File "../Documents/Intermol_Fork/InterMol/intermol/convert.py", line 605, in _load_lammps system = lmp.load(in_file=lammps_in) File "/home/jbrown/Documents/InterMol/intermol/lammps/lammps_parser.py", line 34, in load return parser.read() File "/home/jbrown/Documents/InterMol/intermol/lammps/lammps_parser.py", line 315, in read self.read_data(self.data_file) File "/home/jbrown/Documents/InterMol/intermol/lammps/lammps_parser.py", line 434, in read_data parsable_keywordskeyword File "/home/jbrown/Documents/InterMol/intermol/lammps/lammps_parser.py", line 749, in parse_atoms self.nb_types[int(fields[self.type_idx])][1], # sigma AttributeError: 'LammpsParser' object has no attribute 'nb_types'

[JoshuaSBrown]

I will see if I can fix this.

[vitfant]

Hi! is there any update on the matter? thank you