Loading doc/src/pair_spin_soc_dmi.txt→doc/src/pair_spin_dmi.txt +5 −8 Changes for doc/src/pair_spin_dmi.txt: 5 added lines, 8 removed lines. Original line number Diff line number Diff line Loading @@ -6,11 +6,11 @@ :line pair_style pair/spin/soc/dmi command :h3 pair_style pair/spin/dmi command :h3 [Syntax:] pair_style pair/spin/soc/dmi cutoff :pre pair_style pair/spin/dmi cutoff :pre cutoff = global cutoff pair (distance in metal units) :ulb,l Loading @@ -18,19 +18,16 @@ cutoff = global cutoff pair (distance in metal units) :ulb,l [Examples:] pair_style pair/spin/soc/dmi 4.0 pair_style pair/spin/dmi 4.0 pair_coeff * * dmi 2.6 0.001 1.0 0.0 0.0 pair_coeff 1 2 dmi 4.0 0.00109 0.0 0.0 1.0 :pre [Description:] Styles {pair/spin/soc} compute pair interactions arising from the spin-orbit coupling (soc). Style {pair/spin/soc/dmi} computes the Dzyaloshinskii-Moriya (DM) interaction Style {pair/spin/dmi} computes the Dzyaloshinskii-Moriya (DM) interaction between pairs of magnetic spins: :c,image(Eqs/pair_spin_soc_dmi_interaction.jpg) :c,image(Eqs/pair_spin_dmi_interaction.jpg) where si and sj are two neighboring magnetic spins of two particles, rij = ri - rj is the inter-atomic distance between the two particles, Loading doc/src/pair_spin_soc_neel.txt→doc/src/pair_spin_neel.txt +5 −8 Changes for doc/src/pair_spin_neel.txt: 5 added lines, 8 removed lines. Original line number Diff line number Diff line Loading @@ -6,11 +6,11 @@ :line pair_style pair/spin/soc/neel command :h3 pair_style pair/spin/neel command :h3 [Syntax:] pair_style pair/spin/soc/neel cutoff :pre pair_style pair/spin/neel cutoff :pre cutoff = global cutoff pair (distance in metal units) :ulb,l Loading @@ -18,19 +18,16 @@ cutoff = global cutoff pair (distance in metal units) :ulb,l [Examples:] pair_style pair/spin/soc/neel 4.0 pair_style pair/spin/neel 4.0 pair_coeff * * neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652 pair_coeff 1 2 neel 4.0 0.0048 0.234 1.168 0.0 0.0 1.0 :pre [Description:] Styles {pair/spin/soc} compute pair interactions arising from the spin-orbit coupling (soc). Style {pair/spin/soc/neel} computes the Neel pair anisotropy model Style {pair/spin/neel} computes the Neel pair anisotropy model between pairs of magnetic spins: :c,image(Eqs/pair_spin_soc_dmi_interaction.jpg) :c,image(Eqs/pair_spin_dmi_interaction.jpg) where si and sj are two neighboring magnetic spins of two particles, rij = ri - rj is the inter-atomic distance between the two particles, Loading examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc +1 −1 Changes for examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc: 1 added line, 1 removed line. Original line number Diff line number Diff line Loading @@ -53,5 +53,5 @@ thermo 10 compute outsp all property/atom spx spy spz sp fmx fmy fmz dump 100 all custom 1 dump_cobalt_fcc.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] run 1000 run 100 examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp +2 −2 Changes for examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp: 2 added lines, 2 removed lines. Original line number Diff line number Diff line Loading @@ -22,11 +22,11 @@ mass 1 58.93 set group all spin/random 31 1.72 velocity all create 100 4928459 rot yes dist gaussian #pair_style hybrid/overlay eam/alloy pair/spin/exchange 4.0 pair/spin/soc/neel 4.0 #pair_style hybrid/overlay eam/alloy pair/spin/exchange 4.0 pair/spin/neel 4.0 pair_style hybrid/overlay eam/alloy pair/spin/exchange 4.0 pair_coeff * * eam/alloy ../examples/SPIN/cobalt_hcp/Co_PurjaPun_2012.eam.alloy Co pair_coeff * * pair/spin/exchange exchange 4.0 0.3593 1.135028015e-05 1.064568567 #pair_coeff * * pair/spin/soc/neel neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652 #pair_coeff * * pair/spin/neel neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652 neighbor 0.1 bin neigh_modify every 10 check yes delay 20 Loading src/SPIN/atom_vec_spin.cpp +5 −0 Changes for src/SPIN/atom_vec_spin.cpp: 5 added lines, 0 removed lines. Original line number Diff line number Diff line Loading @@ -16,6 +16,11 @@ /* ------------------------------------------------------------------------ Contributing authors: Julien Tranchida (SNL) Aidan Thompson (SNL) Please cite the related publication: Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018). Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics. arXiv preprint arXiv:1801.10233. ------------------------------------------------------------------------- */ #include <math.h> Loading Loading
doc/src/pair_spin_soc_dmi.txt→doc/src/pair_spin_dmi.txt +5 −8 Changes for doc/src/pair_spin_dmi.txt: 5 added lines, 8 removed lines. Original line number Diff line number Diff line Loading @@ -6,11 +6,11 @@ :line pair_style pair/spin/soc/dmi command :h3 pair_style pair/spin/dmi command :h3 [Syntax:] pair_style pair/spin/soc/dmi cutoff :pre pair_style pair/spin/dmi cutoff :pre cutoff = global cutoff pair (distance in metal units) :ulb,l Loading @@ -18,19 +18,16 @@ cutoff = global cutoff pair (distance in metal units) :ulb,l [Examples:] pair_style pair/spin/soc/dmi 4.0 pair_style pair/spin/dmi 4.0 pair_coeff * * dmi 2.6 0.001 1.0 0.0 0.0 pair_coeff 1 2 dmi 4.0 0.00109 0.0 0.0 1.0 :pre [Description:] Styles {pair/spin/soc} compute pair interactions arising from the spin-orbit coupling (soc). Style {pair/spin/soc/dmi} computes the Dzyaloshinskii-Moriya (DM) interaction Style {pair/spin/dmi} computes the Dzyaloshinskii-Moriya (DM) interaction between pairs of magnetic spins: :c,image(Eqs/pair_spin_soc_dmi_interaction.jpg) :c,image(Eqs/pair_spin_dmi_interaction.jpg) where si and sj are two neighboring magnetic spins of two particles, rij = ri - rj is the inter-atomic distance between the two particles, Loading
doc/src/pair_spin_soc_neel.txt→doc/src/pair_spin_neel.txt +5 −8 Changes for doc/src/pair_spin_neel.txt: 5 added lines, 8 removed lines. Original line number Diff line number Diff line Loading @@ -6,11 +6,11 @@ :line pair_style pair/spin/soc/neel command :h3 pair_style pair/spin/neel command :h3 [Syntax:] pair_style pair/spin/soc/neel cutoff :pre pair_style pair/spin/neel cutoff :pre cutoff = global cutoff pair (distance in metal units) :ulb,l Loading @@ -18,19 +18,16 @@ cutoff = global cutoff pair (distance in metal units) :ulb,l [Examples:] pair_style pair/spin/soc/neel 4.0 pair_style pair/spin/neel 4.0 pair_coeff * * neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652 pair_coeff 1 2 neel 4.0 0.0048 0.234 1.168 0.0 0.0 1.0 :pre [Description:] Styles {pair/spin/soc} compute pair interactions arising from the spin-orbit coupling (soc). Style {pair/spin/soc/neel} computes the Neel pair anisotropy model Style {pair/spin/neel} computes the Neel pair anisotropy model between pairs of magnetic spins: :c,image(Eqs/pair_spin_soc_dmi_interaction.jpg) :c,image(Eqs/pair_spin_dmi_interaction.jpg) where si and sj are two neighboring magnetic spins of two particles, rij = ri - rj is the inter-atomic distance between the two particles, Loading
examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc +1 −1 Changes for examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc: 1 added line, 1 removed line. Original line number Diff line number Diff line Loading @@ -53,5 +53,5 @@ thermo 10 compute outsp all property/atom spx spy spz sp fmx fmy fmz dump 100 all custom 1 dump_cobalt_fcc.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] run 1000 run 100
examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp +2 −2 Changes for examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp: 2 added lines, 2 removed lines. Original line number Diff line number Diff line Loading @@ -22,11 +22,11 @@ mass 1 58.93 set group all spin/random 31 1.72 velocity all create 100 4928459 rot yes dist gaussian #pair_style hybrid/overlay eam/alloy pair/spin/exchange 4.0 pair/spin/soc/neel 4.0 #pair_style hybrid/overlay eam/alloy pair/spin/exchange 4.0 pair/spin/neel 4.0 pair_style hybrid/overlay eam/alloy pair/spin/exchange 4.0 pair_coeff * * eam/alloy ../examples/SPIN/cobalt_hcp/Co_PurjaPun_2012.eam.alloy Co pair_coeff * * pair/spin/exchange exchange 4.0 0.3593 1.135028015e-05 1.064568567 #pair_coeff * * pair/spin/soc/neel neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652 #pair_coeff * * pair/spin/neel neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652 neighbor 0.1 bin neigh_modify every 10 check yes delay 20 Loading
src/SPIN/atom_vec_spin.cpp +5 −0 Changes for src/SPIN/atom_vec_spin.cpp: 5 added lines, 0 removed lines. Original line number Diff line number Diff line Loading @@ -16,6 +16,11 @@ /* ------------------------------------------------------------------------ Contributing authors: Julien Tranchida (SNL) Aidan Thompson (SNL) Please cite the related publication: Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018). Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics. arXiv preprint arXiv:1801.10233. ------------------------------------------------------------------------- */ #include <math.h> Loading
