lammps/doc/min_modify.txt

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min_modify command :h3

[Syntax:]

min_modify keyword values ... :pre

one or more keyword/value pairs may be listed :ulb,l
keyword = {dmax}
  {dmax} value = max
    max = maximum distance for line search to move (distance units)
:ule

[Examples:]

min_modify dmax 0.2 :pre

[Description:]

This command sets parameters that affect the energy minimization
algorithms.  The various settings may effect the convergence rate and
overall number of force evaluations required by a minimization, so
users can experiment with these parameters to tune their
minimizations.

The minimization algorithms have an outer iteration (conjugate
gradient or steepest descent) and an inner iteration which is steps
along a one-dimensional line search in a particular search direction.
The {dmax} parameter is how far any atom can move in a single line
search in any dimension (x, y, or z).  Thus a value of 0.1 in real
distance units means no atom will move further than 0.1 Angstroms in a
single outer iteration.  This is typically set to avoid the
possibility than one atom will be moved through another due to strong
overlapping forces.

[Restrictions:] none

[Related commands:]

"min_style"_min_style.html, "minimize"_minimize.html

[Default:]

The option defaults are dmax = 0.1.