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Pair styles :h3

Classes that compute pairwise interactions are derived from the Pair
class.  In LAMMPS, pairwise calculation include many-body potentials
such as EAM or Tersoff where particles interact without a static bond
topology.  New styles can be created to add new pair potentials to
LAMMPS.

Pair_lj_cut.cpp is a simple example of a Pair class, though it
includes some optional methods to enable its use with rRESPA.

Here is a brief description of the class methods in pair.h:

compute: workhorse routine that computes pairwise interactions
settings: reads the input script line with arguments you define
coeff: set coefficients for one i,j type pair
init_one: perform initialization for one i,j type pair
init_style: initialization specific to this pair style
write & read_restart: write/read i,j pair coeffs to restart files
write & read_restart_settings: write/read global settings to restart files
single: force and energy of a single pairwise interaction between 2 atoms
compute_inner/middle/outer: versions of compute used by rRESPA :tb(s=:)

The inner/middle/outer routines are optional.