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timestep command

Syntax:

timestep dt 

Examples:

timestep 2.0 
timestep 0.003 

Description:

Set the timestep size for subsequent molecular dynamics simulations. See the units command for a discussion of time units. Note that using the units command also sets the timestep to its default value in the chosen units.

When the run style is respa, dt is the timestep for the outer loop (largest) timestep.

Restrictions: none

Related commands:

run, run_style respa, units

Default:

timestep = 0.005 tau for units = lj
timestep = 1.0 fmsec for units = real
timestep = 0.001 psec for units = metal