i m using
atom_style hybrid full dipole
pair_style lj/cut/dipole/long
kspace_style pppm/dipole
showing the error "Cannot (yet) use charges with Kspace style PPPMDipole "
i/p script
i/p script
That error message is self-explanatory. Do you have a question beyond that?
No questions beyond this. But i didn’t understand the error. Could you elaborate more on this ?
Your system has atoms with (point) dipoles and charges. The error message tells you that using pppm/dipole will only work for atoms that only have dipoles.
Besides, your pppm/dipole command uses two arguments (why?) that do not match the documentation and values that seem very unreasonable. How did you choose those.
Currently the only Kspace style that supports both dipoles and charges at the same time is ewald/disp/dipole, see kspace_style command — LAMMPS documentation.