doc correction

min_modify command :h3

[Syntax:]

s

min_modify keyword values ... :pre

one or more keyword/value pairs may be listed :ulb,l

    damping = fictitious Gilbert damping for spin minimization (adim)

  {discrete_factor} value = factor

    factor = discretization factor for adaptive spin timestep (adim) :pre

    these keywords apply only to the {adaptglok} "min_style"_min_style.html :l

keyword = {integrator} or {tmax} or {tmin} or {delaystep} or {dtgrow} or {dtshrink} or {alpha0} or {alphashrink} or {relaxbox} or {relaxbox_mod} or {relaxbox_rate} or {ptol} or {halfstepback} or {initialdelay} or {vdfmax} :l

:ule

these keywords apply only to the "min_style"_min_style.html {adaptglok} :ulb,l

keyword = {integrator} or {tmax} or {tmin} or {delaystep} or {dtgrow} or {dtshrink} 

          or {alpha0} or {alphashrink} or {relaxbox} or {relaxbox_mod} or {relaxbox_rate} 

          or {ptol} or {halfstepback} or {initialdelay} or {vdfmax}

  {integrator} arg = {eulerimplicit} or {eulerexplicit} or {verlet} or {leapfrog}

    eulerimplicit,eulerexplicit,verlet,leapfrog = integration scheme

  {tmax} arg = coef

Note that even with the default parameters being chosen to be reliable in most

cases, adjusting "timestep"_timestep.html, {tmax} and {tmin} should be consider

to optimize the minimization, in particular for large/complex system.

An additionnal stopping criteria {vdfmax} is added in order to avoid unnecessary looping

An additional stopping criteria {vdfmax} is added in order to avoid unnecessary looping

when it is reasonable to think the system will not be relaxed further.

Note that in this case the system will NOT be relaxed. This could

happen when the system comes to be stuck in a local basin of the phase space. 

Thus {adaptglok} implements a rudimentary box relaxation procedure that can be

controlled by the keywords {relaxbox}, {relaxbox_mod}, {relaxbox_rate} 

and {ptol}.

The argument {relaxbox} controle in which directions the pressure is relaxed.

The argument {relaxbox} control in which directions the pressure is relaxed.

Note that the corresponding directions have to be periodic.

Note also that {relaxbox_mod} doesn't requires the exact value for the bulk modulus,

but rather the order of magnitude (in pressure "units"_units.html).

down the box relaxation but improve the stability of the procedure.

NOTE: the option {relaxbox} is currently experimental and often 

requires to tune the communication cutoff for gost atoms with the command 

requires to tune the communication cutoff for ghost atoms with the command 

"comm_modify cutoff"_comm_modify.html. The value will depend on the expected

box variation and the number of cpu. A value from 2 to 3 times the current cutoff

(largest pair cutoff + neighbor skin) is often enough.

a minimization.

Style {adaptglok} is a re-implementation of the style {fire} with

additionnal optimizations of the method described

additional optimizations of the method described

in "(Bitzek)"_#Bitzek. It includes a temporization of the variable

timestep, a backstep when downhill and different time integration

schemes.