modify line for spin_cubic, spin_none. edit docs a bit.

{spin_oso_lbfgs} styles can be specified via the {line} keyword.

The {spin_cubic} and  {spin_none} only make sense when one of those 

two minimization styles is declared.

The {spin_cubic} keyword activates the line search procedure when 

the {spin_oso_cg} algorithm is used.

The {spin_none} keyword deactivates the line search procedure when 

the {spin_oso_lbfgs} algorithm is used.

The {spin_cubic} performs the line search based on a cubic interpolation

of the energy along the search direction. The {spin_none} keyword

deactivates the line search procedure.

The {spin_none} is a default value for {line} keyword apart from the case when

single-replica calculations are performed with {spin_oso_lbfgs} that

uses {spin_cubic} line search.

[Restrictions:] The line search procedure of styles

{spin_oso_cg} and {spin_oso_lbfgs} cannot be used for magnetic

[Examples:]

min_style 	spin_oso_lbfgs 

min_modify      discrete_factor 10.0 line spin_none :pre 

min_modify      line spin_none discrete_factor 10.0 :pre

[Description:]

The "min_modify"_min_modify.html command can be used to

couple the {spin_oso_cg} to a line search procedure, and to modify the 

discretization factor {discrete_factor}.

By defualt, the style {spin_oso_cg} does not employ line search procedure and

and uses the adaptive time-step technique in the same way as style {spin}.

Style {spin_oso_lbfgs} defines an orthogonal spin optimization

(OSO) combined to a limited-memory Broyden-Fletcher-Goldfarb-Shanno 

(LBFGS) algorithm. 

By default, style {spin_oso_lbfgs} uses a line search procedure.

(L-BFGS) algorithm.

By default, style {spin_oso_lbfgs} uses a line search procedure

based on cubic interpolation for

a single-replica calculation, and it does not use line search procedure

for a multireplica calculation (such as in case of GNEB calculation).

If the line search procedure is not used then the discrete factor defines

the maximum root mean squared rotation angle of spins by equation {pi/(5*Kappa)}.

The default value for Kappa is 10.

The "min_modify"_min_modify.html command can be used to

deactivate the line search procedure, and to modify the

discretization factor {discrete_factor}. 

NOTE: the "minimization style"_min_style.html {spin},

{spin_oso_cg}, and {spin_oso_lbfgs} replace

the force tolerance {ftol} by a torque tolerance.

The minimization procedure stops if the 2-norm (length) of the 

global torque vector (defined as the cross product between the 

spins and their precession vectors omega) is less than {ftol}, 

or if any of the other criteria are met.

The minimization procedure stops if the 2-norm (length) of the torque vector on atom

(defined as the cross product between the

atomic spin and its precession vectors omega) is less than {ftol},

or if any of the other criteria are met. Torque have the same units as the energy.

NOTE: You can also use the "fix halt"_fix_halt.html command to specify

a general criterion for exiting a minimization, that is a calculation

processors per replica.  See the "Howto replica"_Howto_replica.html

doc page for further discussion.

NOTE: As explained below, a GNEB calculation performs a damped dynamics

NOTE: As explained below, a GNEB calculation performs a

minimization across all the replicas. One of the "spin"_min_spin.html

style minimizers has to be defined in your input script. 

:line

A NEB calculation proceeds in two stages, each of which is a

minimization procedure, performed via damped dynamics.  To enable

this, you must first define a damped spin dynamics

minimization procedure.  To enable

this, you must first define a

"min_style"_min_style.html, using either the {spin},

{spin_oso_cg}, or {spin_oso_lbfgs} style (see

"min_spin"_min_spin.html for more information).  

variable 	emag      equal c_out_mag[5]

variable 	tmag      equal c_out_mag[6]

thermo          50

thermo          100

thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal

thermo_modify   format float %20.15g

compute 	outsp all property/atom spx spy spz sp fmx fmy fmz

dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]

min_style	spin/oso_cg

min_modify 	discrete_factor 10.0 line spin_cubic

minimize        1.0e-10 1.0e-10 10000 1000

min_style	spin_oso_cg

# min_modify 	line spin_none discrete_factor 10.0

minimize        1.0e-10 1.0e-7 1000 1000