The format of my parameter set doesn’t exist in LAMMPS so I need to use pair_style table.
pair_style table linear 4096 pppm
This is my pair_style command.
When I use this command, then thermo shows the coulombic interaction zero. And error message says “hybrid/overlay” and “table” are not compatible.
Then, how can I consider coulombic interactions?
The format of my parameter set doesn’t exist in LAMMPS so I need to use pair_style table.
what is the potential function?
pair_style table linear 4096 pppm
This is my pair_style command.
When I use this command, then thermo shows the coulombic interaction zero.
yes, since its energy is only tallied into the evdwl accumulator. whether coulomb is included or not depends on whether it is included into the table.
And error message says “hybrid/overlay” and “table” are not compatible.
this doesn’t make sense. there must be a different error message. pair style table can be used as a sub-style of pair style hybrid/overlay.
Then, how can I consider coulombic interactions?
as mentioned before (and as stated in the documentation), you can include coulomb interactions into your table (but then the per-atom charges must match the atom type assignment and the corresponding tabulation), there are provisions to even support long-range coulomb, when using the corresponding settings. or you can use pair style hybrid/overlay in with coul/cut or coul/long and table as sub-styles.
if you want more specific advice, you need to state which LAMMPS version exactly you are using, provide your input and the exact errors it produces.
axel.