timestep command


timestep dt
  • dt = timestep size (time units)


timestep 2.0
timestep 0.003


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.




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