move_test command

Syntax:

move_test species-ID N Nhisto seed file 

• species-ID = ID of species
• N = # of moves
• Nhisto = number of histogram bins
• seed = random # seed
• file = file to write results to

Examples:

move_test Ca 10000 100 58327 tmp.diff 

Description:

Test the diffusive movement of a species by performing N moves of a single particle, and binning the result in distance. The histogram statistics are written to the specified file.

This is useful for testing the distribution of move distances for a particular diffusion coefficient and timestep size.

Restrictions: none

Related commands:

move_style

Default: none