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Description
Dear Pete,
First of all I would like to thank you for sharing your code with the scientific community.
I recently started testing the CO2.cif and I have this error
" File "/opt/venv/bin/lammps-interface", line 33, in
sys.exit(load_entry_point('lammps-interface==0.2.2', 'console_scripts', 'lammps-interface')())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/opt/venv/lib/python3.11/site-packages/lammps_interface/cli.py", line 17, in main
sim.assign_force_fields()
File "/opt/venv/lib/python3.11/site-packages/lammps_interface/lammps_main.py", line 486, in assign_force_fields
self.add_co2_model(ngraph, ff)
^^^^^^^^^^^^^^^^^^
AttributeError: 'LammpsSimulation' object has no attribute 'add_co2_model'" .
I can't find the error in main code.
Thanks in advance.
Kind Regards,
Dionysis