Dear LAMMPS users,
I want to use pair style lj/cut/dipole/cut as shown in the dipole example.
It requires the use of hybrid sphere dipole atom_style,
to integrate by using fix nve/sphere update dipole, which allows for the rotation of dipole moments. However, in this case, if I am not mistaken, it is not possible to assign multiple atoms to one molecule by a standard bond, like a harmonic potential.
Is there any possibility to be able to assign several atoms to one molecule?
Department of Theoretical Chemistry
Institute of Chemical Sciences
Faculty of Chemistry
Maria Curie Skłodowska University in Lublin