pair_style lj Ntypes cutoff
pair_style lj 1 2.5 pair_style lj 3 3.0
The lj/cut style computes the standard 12/6 Lennard-Jones potential, given by
Rc is the cutoff.
The following coefficients must be defined for each pair of particle types via the pair_coeff command, or by mixing as described below:
Note that sigma is defined in the LJ formula as the zero-crossing distance for the potential, not as the energy minimum at 2^(1/6) sigma.
The last coefficients is optional. If not specified, the global LJ cutoff specified in the pair_style command is used.
For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance for all of the lj/cut pair styles can be mixed. The style of mixing is geometric, which means that
epsilon_ij = sqrt(epsilon_i * epsilon_j) sigma_ij = sqrt(sigma_i * sigma_j)
Related commands: none