# pair_style born/gauss command ## Syntax ``` LAMMPS pair_style born/gauss cutoff ``` - born/gauss = name of the pair style - cutoff = global cutoff (distance units) ## Examples ``` LAMMPS pair_style born/gauss 10.0 pair_coeff 1 1 1 1 8.2464e13 12.48 0.042644277 0.44 3.56 ``` ## Description ::: versionadded 28Mar2023 ::: Pair style *born/gauss* computes pairwise interactions from a combination of a Born-Mayer repulsive term and a Gaussian attractive term according to [(Bomont)](Bomont): $$E = A_0 \exp \left( -\alpha r \right) - A_1 \exp\left[ -\beta \left(r - r_0 \right)^2 \right] \qquad r < r_c$$ $r_c$ is the cutoff. The following coefficients must be defined for each pair of atoms types via the [pair_coeff](pair_coeff) command as in the examples above, or in the data file or restart files read by the [read_data](read_data) or [read_restart](read_restart) commands: - $A_0$ (energy units) - $\alpha$ (1/distance units) - $A_1$ (energy units) - $\beta$ (1/(distance units)\^2) - $r_0$ (distance units) - cutoff (distance units) The last coefficient is optional. If not specified, the global cutoff is used. ------------------------------------------------------------------------ ## Mixing, shift, table, tail correction, restart, rRESPA info This pair style does not support mixing. Thus, coefficients for all I,J pairs must be specified explicitly. This pair style supports the [pair_modify](pair_modify) shift option for the energy of the pair interaction. The [pair_modify](pair_modify) table options are not relevant for this pair style. This pair style does not support the [pair_modify](pair_modify) tail option for adding long-range tail corrections to energy and pressure. This pair style writes its information to [binary restart files](restart), 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](run_style) command. It does not support the *inner*, *middle*, *outer* keywords. ------------------------------------------------------------------------ ## Restrictions This pair style is only enabled if LAMMPS was built with the EXTRA-PAIR package. See the [Build package](Build_package) page for more info. ## Related commands [pair_coeff](pair_coeff), [pair_style born](pair_born) ## Default none ------------------------------------------------------------------------ ::: {#Bomont} **(Bomont)** Bomont, Bretonnet, J. Chem. Phys. 124, 054504 (2006) :::