$$\renewcommand{\AA}{\text{Å}}$$

# 3.5. Pair styles¶

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/r and energy of a single pairwise interaction between 2 atoms compute_inner/middle/outer versions of compute used by rRESPA

The inner/middle/outer routines are optional.