diff --git a/doc/src/pair_spin_long.txt b/doc/src/pair_spin_long.txt deleted file mode 100644 index c5b4a7b33e..0000000000 --- a/doc/src/pair_spin_long.txt +++ /dev/null @@ -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). diff --git a/examples/SPIN/iron/in.spin.iron b/examples/SPIN/iron/in.spin.iron index c963c919cd..bb1b0e1b4d 100644 --- a/examples/SPIN/iron/in.spin.iron +++ b/examples/SPIN/iron/in.spin.iron @@ -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 pair_style hybrid/overlay eam/alloy spin/exchange 3.5 -#pair_coeff * * eam/alloy Fe_Mishin2006.eam.alloy Fe -pair_coeff * * eam/alloy ../examples/SPIN/iron/Fe_Mishin2006.eam.alloy Fe +pair_coeff * * eam/alloy Fe_Mishin2006.eam.alloy Fe pair_coeff * * spin/exchange exchange 3.4 0.02726 0.2171 1.841 neighbor 0.1 bin @@ -55,4 +54,4 @@ thermo 50 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] -run 50 +run 50000