\(\renewcommand{\AA}{\text{Å}}\)
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 |