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fix wall/93 command

Syntax:

fix ID group-ID wall/lj93 style coord epsilon sigma cutoff 

Examples:

fix wallhi all wall/lj93 xhi 10.0 1.0 1.0 1.12 

Description:

Bound the simulation domain with a Lennard-Jones wall that encloses the atoms. The energy E of a wall-particle interactions is given by the 9-3 potential

where r is the distance from the particle to the wall coord, and epsilon and sigma are the usual LJ parameters. Rc is the cutoff value specified in the command. This interaction is derived by integrating over a 3d half-lattice of Lennard-Jones 12-6 particles.

Restrictions: none

Related commands: none

Default: none