LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Commands

### pair_style yukawa command

Syntax:

    pair_style yukawa kappa cutoff

- kappa = screening length (inverse distance units)
- cutoff = global cutoff for Yukawa interactions (distance units)

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:

- A (energy*distance units)
- cutoff (distance units)

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:

pair_coeff

Default: none