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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'
The text was updated successfully, but these errors were encountered:
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'
The text was updated successfully, but these errors were encountered: