\(\renewcommand{\AA}{\text{Å}}\)

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

fs

1.0 fs

metal

ps

0.001 ps

si

s

1.0e-8 s (10 ns)

cgs

s

1.0e-8 s (10 ns)

electron

fs

0.001 fs

micro

\(\mu\)s

2.0 \(\mu\)s

nano

ns

0.00045 ns