Dear LAMMPS Users,
Hello. I had a question regarding the minimize command.
I have a simulation box that contains P3HT:PCBM and i want
to run a minimization. my questions :
- the extension of the file (input) must be file.min ? or we can do just file.lt ?
- the syntax of this minimize command is :
minimize etol ftol maxiter maxeval
how can i determin this parameter of this command ?.
- etol = stopping tolerance for energy (unitless)
- ftol = stopping tolerance for force (force units)
- maxiter = max iterations of minimizer
- maxeval = max number of force/energy evaluations
Can you explain to me
Thanks in advance,