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Commit2 JT 052019

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- some corrections in the examples
- deleted an old doc files (now redundant)
This commit is contained in:
julient31
2019-05-20 22:09:59 -06:00
parent e90eed9120
commit 82b50706bd
2 changed files with 2 additions and 87 deletions
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84
doc/src/pair_spin_long.txt
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@ -1,84 +0,0 @@
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Commands_all.html)
:line
pair_style spin/long command :h3
[Syntax:]
pair_style spin/long cutoff (cutoff)
cutoff = global cutoff pair (distance in metal units) :ulb,l
:ule
[Examples:]
pair_style spin/long 10.0
pair_coeff * * long 10.0
pair_coeff 2 3 long 8.0 :pre
[Description:]
Style {pair/spin/long} computes interactions between pairs of particles
that each have a magnetic spin.
:c,image(Eqs/pair_spin_long_range.jpg)
where si and sj are two magnetic spins of two particles with Lande factors
gi and gj respectively, eij = (ri - rj)/|ri-rj| is the unit vector between
sites i and j, mu0 the vacuum permeability, muB the Bohr magneton (muB =
5.788 eV/T in metal units).
Style {pair/spin/long} computes magnetic precession vectors:
:c,image(Eqs/pair_spin_long_range_magforce.jpg)
with h the Planck constant (in metal units), and a mechanical force:
:c,image(Eqs/pair_spin_long_range_force.jpg)
The following coefficient must be defined for each pair of atoms
types via the "pair_coeff"_pair_coeff.html command as in the examples
above, or in the data file or restart files read by the
"read_data"_read_data.html or "read_restart"_read_restart.html
commands, or by mixing as described below:
rc (distance units) :ul
with rc is the radius cutoff of the short-range component of the
long-range interaction (see "(Cerda)"_#Cerda1 for more
explanation).
:line
[Restrictions:]
The {pair/spin/long} style is part of the SPIN package. It is only
enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#start_3 section for more info.
The {pair/spin/long} style computes the short-range component of
the dipole-dipole interaction. The functions evaluating the
long-range component are part of the KSPACE package.
They can be enabled only if LAMMPS was built with that package.
[Related commands:]
"atom_style spin"_atom_style.html, "pair_coeff"_pair_coeff.html,
[Default:] none
:line
:link(Tranchida6)
[(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
Journal of Computational Physics, (2018).
:link(Cerda1)
[(Cerda)] Cerda, Ballenegger, Lenz, and Holm, J Chem Phys, 129(23),
234104 (2008).

5
examples/SPIN/iron/in.spin.iron
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@ -24,8 +24,7 @@ set group all spin 2.2 0.0 0.0 1.0
velocity all create 100 4928459 rot yes dist gaussian velocity all create 100 4928459 rot yes dist gaussian
pair_style hybrid/overlay eam/alloy spin/exchange 3.5 pair_style hybrid/overlay eam/alloy spin/exchange 3.5
#pair_coeff * * eam/alloy Fe_Mishin2006.eam.alloy Fe pair_coeff * * eam/alloy Fe_Mishin2006.eam.alloy Fe
pair_coeff * * eam/alloy ../examples/SPIN/iron/Fe_Mishin2006.eam.alloy Fe
pair_coeff * * spin/exchange exchange 3.4 0.02726 0.2171 1.841 pair_coeff * * spin/exchange exchange 3.4 0.02726 0.2171 1.841
neighbor 0.1 bin neighbor 0.1 bin
@ -55,4 +54,4 @@ thermo 50
compute outsp all property/atom spx spy spz sp fmx fmy fmz compute outsp all property/atom spx spy spz sp fmx fmy fmz
dump 100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] dump 100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
run 50 run 50000