Hi,
I would like to use pair_style lj/cut/dipole/cut command — LAMMPS documentation as an interaction between only bonded atoms in a given molecule, while also having those atoms interact through a specific bond style (most likely bond_style harmonic command — LAMMPS documentation), and having a three body angle interaction (angle_style harmonic command — LAMMPS documentation). The bond and angle style work together fine, and I have the bonds / angles all set up through read_data, the only remaining issue is to have the pair style activated (and not ignored!) between neighboring atoms (so 1-2 pairs only on the same molecule). I believe the special bonds and possibly the bond type special commands are related, but I’m a bit confused after reading the documentation and worried about them only applying to the keyword pair styles and not the desired dipole interaction. Reading through the post Inquiry on LAMMPS special_bond and pair_style and the command documentation seems to tell me that possibly the command special_bonds lj 0.0 0.0 0.5 coul 1.0 0.0 0.0 would have the effect of turning off all pairwise LJ interactions, and turning on only 1-2 Coulomb interactions? if dipole-dipole interactions (as are in pair_style lj/cut/dipole/cut command — LAMMPS documentation) are included in Coulomb, perhaps that would be the command I need.
If there was something that turned off all pair style interactions except for within molecules, this would also not work, as I would like to also include a specific granular interaction between atoms of separate molecules (and only have them interact through that potential). Finally, I cannot use angle_style dipole command — LAMMPS documentation instead to capture the dipole interaction, as this precludes me from using the harmonic angle style, unless there exists an angle style hybrid overlay command that allows two angle styles on one angle (and as I understand, there is not).
I imagine that possibly at least the desire of molecule - molecule atom interactions being only the granular pair style could be achieved through setting specific groups?