Dumping files with variable timestep

LAMMPS LAMMPS Mailing List Mirror
1

Hi all,

If I am running a simulation using a variable time step how can I dump files every 0.5ps rather than every n time steps?

Thanks,
Adam

2

Hi all,

If I am running a simulation using a variable time step how can I dump
files every 0.5ps rather than every n time steps?

​please see the dump_modify every option, which can take a variable as an
argument. you will have to program a function that will provide an
extrapolation at what step the ne​xt dump should be when the current one is
performed. so it will be difficult to have it on exactly the desired steps.
LAMMPS needs to know at the beginning of a step that a dump is happening.

an alternative would be to use the every option to the run command to break
down a run into smaller chunks and then use write_dump with an if statement
dependent on the progress of time.

axel.