timestep command

Syntax

timestep dt
  • dt = timestep size (time units)

Examples

timestep 2.0
timestep 0.003

Description

Set the timestep size for subsequent molecular dynamics simulations. See the units command for the time units associated with each choice of units that LAMMPS supports.

The default value for the timestep size also depends on the choice of units for the simulation; see the default values below.

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

Restrictions

none

Default

choice of units

time units

default timestep size

lj

tau

0.005 tau

real

fmsec

1.0 fmsec

metal

psec

0.001 psec

si

sec

1.0e-8 sec (10 nsec)

cgs

sec

1.0e-8 sec (10 nsec)

electron

fmsec

0.001 fmsec

micro

usec

2.0 usec

nano

nsec

0.00045 nsec