Hi lammps-users, i have a question to consult with you. In my MD simulation the fix dt/restet command is used to reset the timestep every step, and i want to output the elasped simulation time at any step i want, however i still failed after many attemps. could you please tell me how can i meet that end? looking forward to your response.
Best regards!
Xianglai
Not clear what you are asking. You can output the elapsed simulation
time whenever you do thermo output, via the “time” keyword, e.g.
if the timestep size is variable. The “dt” keyword will output the current
timestep size.
If you are asking to control when the output happens, you can use
the thermo command with a variable that calculates the next tilmestep
to do the output (assuming you don’t just want output every N steps).
Steve