Loading doc/src/Howto_spins.txt +19 −4 Original line number Diff line number Diff line Loading @@ -10,7 +10,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c Magnetic spins :h3 The magnetic spin simulations are enabled by the SPIN package, whose implementation is detailed in "Tranchida"_#Tranchida7. implementation is detailed in "Tranchida"_#Tranchida. The model represents the simulation of atomic magnetic spins coupled to lattice vibrations. The dynamics of those magnetic spins can be used Loading @@ -36,13 +36,28 @@ A Langevin thermostat can be applied to those magnetic spins using "fix langevin/spin"_fix_langevin_spin.html. Typically, this thermostat can be coupled to another Langevin thermostat applied to the atoms using "fix langevin"_fix_langevin.html in order to simulate thermostatted spin-lattice system. thermostatted spin-lattice systems. The magnetic Gilbert damping can also be applied using "fix langevin/spin"_fix_langevin_spin.html. It allows to either dissipate the thermal energy of the Langevin thermostat, or to perform a relaxation of the magnetic configuration toward an equilibrium state. The command "fix setforce/spin"_fix_setforce.html allows to set the components of the magnetic precession vectors (while erasing and replacing the previously computed magnetic precession vectors on the atom). This command can be used to freeze the magnetic moment of certain atoms in the simulation by zeroing their precession vector. The command "fix nve/spin"_fix_nve_spin.html can be used to perform a symplectic integration of the combined dynamics of spins and atomic motions. The minimization style "min/spin"_min_spin.html can be applied to the spins to perform a minimization of the spin configuration. All the computed magnetic properties can be output by two main commands. The first one is "compute spin"_compute_spin.html, that enables to evaluate magnetic averaged quantities, such as the total Loading @@ -54,6 +69,6 @@ magnetic spin, or the magnetic force acting on this spin. :line :link(Tranchida7) :link(Tranchida) [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson, arXiv preprint arXiv:1801.10233, (2018). Journal of Computational Physics, 372, 406-425, (2018). doc/src/fix_langevin_spin.txt +1 −1 Original line number Diff line number Diff line Loading @@ -99,4 +99,4 @@ integration fix (e.g. {fix nve/spin}). :link(Tranchida2) [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson, Journal of Computational Physics, (2018). Journal of Computational Physics, 372, 406-425, (2018). doc/src/fix_nve_spin.txt +1 −1 Original line number Diff line number Diff line Loading @@ -73,4 +73,4 @@ instead of "array" is also valid. :link(Tranchida1) [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson, Journal of Computational Physics, (2018). Journal of Computational Physics, 372, 406-425, (2018). doc/src/fix_setforce.txt +19 −1 Original line number Diff line number Diff line Loading @@ -8,6 +8,7 @@ fix setforce command :h3 fix setforce/kk command :h3 fix setforce/spin command :h3 [Syntax:] Loading @@ -27,6 +28,7 @@ keyword = {region} :l fix freeze indenter setforce 0.0 0.0 0.0 fix 2 edge setforce NULL 0.0 0.0 fix 1 edge setforce/spin 0.0 0.0 0.0 fix 2 edge setforce NULL 0.0 v_oscillate :pre [Description:] Loading Loading @@ -65,6 +67,19 @@ to it. :line Style {spin} suffix sets the components of the magnetic precession vectors instead of the mechanical forces. This also erases all previously computed magnetic precession vectors on the atom, though additional magnetic fixes could add new forces. This command can be used to freeze the magnetic moment of certain atoms in the simulation by zeroing their precession vector. All options defined above remain valid, they just apply to the magnetic precession vectors instead of the forces. :line Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available Loading Loading @@ -117,7 +132,10 @@ forces to any value besides zero when performing a minimization. Use the "fix addforce"_fix_addforce.html command if you want to apply a non-zero force to atoms during a minimization. [Restrictions:] none [Restrictions:] The fix {setforce/spin} only makes sense when LAMMPS was built with the SPIN package. [Related commands:] Loading doc/src/pair_spin_dmi.txt +1 −1 Original line number Diff line number Diff line Loading @@ -88,4 +88,4 @@ package"_Build_package.html doc page for more info. Physical Review B, 88(18), 184422. (2013). :link(Tranchida5) [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson, Journal of Computational Physics, (2018). Journal of Computational Physics, 372, 406-425, (2018). Loading
doc/src/Howto_spins.txt +19 −4 Original line number Diff line number Diff line Loading @@ -10,7 +10,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c Magnetic spins :h3 The magnetic spin simulations are enabled by the SPIN package, whose implementation is detailed in "Tranchida"_#Tranchida7. implementation is detailed in "Tranchida"_#Tranchida. The model represents the simulation of atomic magnetic spins coupled to lattice vibrations. The dynamics of those magnetic spins can be used Loading @@ -36,13 +36,28 @@ A Langevin thermostat can be applied to those magnetic spins using "fix langevin/spin"_fix_langevin_spin.html. Typically, this thermostat can be coupled to another Langevin thermostat applied to the atoms using "fix langevin"_fix_langevin.html in order to simulate thermostatted spin-lattice system. thermostatted spin-lattice systems. The magnetic Gilbert damping can also be applied using "fix langevin/spin"_fix_langevin_spin.html. It allows to either dissipate the thermal energy of the Langevin thermostat, or to perform a relaxation of the magnetic configuration toward an equilibrium state. The command "fix setforce/spin"_fix_setforce.html allows to set the components of the magnetic precession vectors (while erasing and replacing the previously computed magnetic precession vectors on the atom). This command can be used to freeze the magnetic moment of certain atoms in the simulation by zeroing their precession vector. The command "fix nve/spin"_fix_nve_spin.html can be used to perform a symplectic integration of the combined dynamics of spins and atomic motions. The minimization style "min/spin"_min_spin.html can be applied to the spins to perform a minimization of the spin configuration. All the computed magnetic properties can be output by two main commands. The first one is "compute spin"_compute_spin.html, that enables to evaluate magnetic averaged quantities, such as the total Loading @@ -54,6 +69,6 @@ magnetic spin, or the magnetic force acting on this spin. :line :link(Tranchida7) :link(Tranchida) [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson, arXiv preprint arXiv:1801.10233, (2018). Journal of Computational Physics, 372, 406-425, (2018).
doc/src/fix_langevin_spin.txt +1 −1 Original line number Diff line number Diff line Loading @@ -99,4 +99,4 @@ integration fix (e.g. {fix nve/spin}). :link(Tranchida2) [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson, Journal of Computational Physics, (2018). Journal of Computational Physics, 372, 406-425, (2018).
doc/src/fix_nve_spin.txt +1 −1 Original line number Diff line number Diff line Loading @@ -73,4 +73,4 @@ instead of "array" is also valid. :link(Tranchida1) [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson, Journal of Computational Physics, (2018). Journal of Computational Physics, 372, 406-425, (2018).
doc/src/fix_setforce.txt +19 −1 Original line number Diff line number Diff line Loading @@ -8,6 +8,7 @@ fix setforce command :h3 fix setforce/kk command :h3 fix setforce/spin command :h3 [Syntax:] Loading @@ -27,6 +28,7 @@ keyword = {region} :l fix freeze indenter setforce 0.0 0.0 0.0 fix 2 edge setforce NULL 0.0 0.0 fix 1 edge setforce/spin 0.0 0.0 0.0 fix 2 edge setforce NULL 0.0 v_oscillate :pre [Description:] Loading Loading @@ -65,6 +67,19 @@ to it. :line Style {spin} suffix sets the components of the magnetic precession vectors instead of the mechanical forces. This also erases all previously computed magnetic precession vectors on the atom, though additional magnetic fixes could add new forces. This command can be used to freeze the magnetic moment of certain atoms in the simulation by zeroing their precession vector. All options defined above remain valid, they just apply to the magnetic precession vectors instead of the forces. :line Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available Loading Loading @@ -117,7 +132,10 @@ forces to any value besides zero when performing a minimization. Use the "fix addforce"_fix_addforce.html command if you want to apply a non-zero force to atoms during a minimization. [Restrictions:] none [Restrictions:] The fix {setforce/spin} only makes sense when LAMMPS was built with the SPIN package. [Related commands:] Loading
doc/src/pair_spin_dmi.txt +1 −1 Original line number Diff line number Diff line Loading @@ -88,4 +88,4 @@ package"_Build_package.html doc page for more info. Physical Review B, 88(18), 184422. (2013). :link(Tranchida5) [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson, Journal of Computational Physics, (2018). Journal of Computational Physics, 372, 406-425, (2018).
