Syntax:
pair_style yukawa kappa cutoff
Examples:
pair_style yukawa 2.0 2.5 pair_coeff 1 1 100.0 2.3 pair_coeff * * 100.0
Description:
Style yukawa computes pairwise interactions with the formula
Rc is the cutoff.
The following coefficients must be defined for each pair of atoms types via the pair_coeff command as in the examples above, or in the data file or restart files read by the read_data or read_restart commands, or by mixing as described below:
The last coefficient is optional. If not specified, the global yukawa cutoff is used.
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the A coefficient and cutoff distance for this pair style can be mixed. A is an energy value mixed like a LJ epsilon. The default mix value is geometric. See the "pair_modify" command for details.
This pair style supports the pair_modify shift option for the energy of the pair interaction.
The pair_modify table option is not relevant for this pair style.
This pair style does not support the pair_modify tail option for adding long-range tail corrections to energy and pressure.
This pair style writes its information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file.
This pair style can only be used via the pair keyword of the run_style respa command. It does not support the inner, middle, outer keywords.
Restrictions: none
Related commands:
Default: none