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pair_style lj/expand command

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:

pair_coeff

Default: none