2.2.3.3 compute rdf

compute rdf is used to calculate the radial distribution function of a specified type of particle.

Syntax:

• id: user assigned name for this fix
• group-id: only particles in this group are applied with this compute
• i-type: center particle type for calculating rdf
• j-type: surrounding particle type for calculating rdf

Examples:

Description:

This compute calculates the radial distribution of j-type particles as a function of i-type particles’ radius. Both i-type and j-type particles are in the same group specified by the group-id.

Output:

The output is in the form of array: radius distance r, g(r) and accumulated particles at distance r.