Syntax:
pair_style lj/expand cutoff
Examples:
pair_style lj/expand 2.5 pair_coeff * * 1.0 1.0 0.5 pair_coeff 1 1 1.0 1.0 -0.2 2.0
Description:
Style lj/expand computes a LJ interaction with a distance shifted by delta which can be useful when particles are of different sizes, since it is different that using different sigma values in a standard LJ formula:
Rc is the cutoff which does not include the delta distance. I.e. the actual force cutoff is the sum of cutoff + delta.
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:
The delta values can be positive or negative. The last coefficient is optional. If not specified, the global LJ cutoff is used.
Restrictions: none
Related commands:
Default: none