[lammps-users] Minimization with time

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Dear LAMMPS Users

According to the requirements of my simulation model of a binary oxide nanotube, I need to minimize the energy for a specific time that is 1ps. I am trying to understand the literature, the documentation of LAMMPS and its commands, what is the min_style that could allow to define a time for minimization? Maybe I am applying the “run” command in the wrong way? Next I send a small script:

==================initial parameters =====================

variable dt equal 0.001
variable Text equal 298.0
variable Pext equal 0

units metal
atom_style charge
dimension 3
boundary p p p

read_data Tubo.data

#=================Potential ============================
include forcefield.Tube
kspace_style pppm 1.0e-5

velocity all create ${Text} 1234
neighbor 2.0 bin #0.5
neigh_modify every 1 delay 0 check yes

timestep ${dt}

#============================= Thermo ========
thermo 100
thermo_style custom step temp press pe ke etotal ecoul epair lx ly lz vol
thermo_modify flush yes

#========== Minimization =========================#
min_style fire
minimize 1.0e-4 1.0e-8 1000 10000
run 1000

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2

There is no “time” associated with a minimization as the length of steps can vary or steps may be retracted and tried again in a different direction.
So you likely are either misunderstanding what you are reading in the publication that you are following, or the authors of that publication make misleading statements.

Axel.

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