[lammps-users] How to setup the parameters of the minimize command


There are 4 parameters available in the minimize command. How to choose suitable value of these parameters?
Has anyone had some good experience? Thanks.

Best regards,



Please see the documentation here: http://lammps.sandia.gov/doc/minimize.html

As in the first example on that page, you might try using: “minimize 1.0e-4 1.0e-6 100 1000”

You should get reasonably good minimization that is fairly insensitive to the exact choice of the parameters.

If you want more minimization, try small numbers for the tolerances and larger numbers for the max values.