integrate SPIN package into documentation, fix links and make it consistent
This commit is contained in:
@ -583,6 +583,7 @@ USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
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"indent"_fix_indent.html,
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"latte"_fix_latte.html,
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"langevin (k)"_fix_langevin.html,
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"langevin/spin"_fix_langevin_spin.hmtl,
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"lineforce"_fix_lineforce.html,
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"momentum (k)"_fix_momentum.html,
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"move"_fix_move.html,
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@ -606,6 +607,7 @@ USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
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"nve/line"_fix_nve_line.html,
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"nve/noforce"_fix_nve_noforce.html,
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"nve/sphere (o)"_fix_nve_sphere.html,
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"nve/spin"_fix_nve_spin.html,
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"nve/tri"_fix_nve_tri.html,
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"nvt (iko)"_fix_nh.html,
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"nvt/asphere (o)"_fix_nvt_asphere.html,
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@ -618,6 +620,7 @@ USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
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"planeforce"_fix_planeforce.html,
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"poems"_fix_poems.html,
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"pour"_fix_pour.html,
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"precession/spin"_fix_precession_spin.html,
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"press/berendsen"_fix_press_berendsen.html,
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"print"_fix_print.html,
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"property/atom (k)"_fix_property_atom.html,
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@ -824,6 +827,7 @@ KOKKOS, o = USER-OMP, t = OPT.
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"sna/atom"_compute_sna_atom.html,
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"snad/atom"_compute_sna_atom.html,
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"snav/atom"_compute_sna_atom.html,
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"spin"_compute_spin.html,
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"stress/atom"_compute_stress_atom.html,
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"temp (k)"_compute_temp.html,
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"temp/asphere"_compute_temp_asphere.html,
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@ -1017,6 +1021,10 @@ KOKKOS, o = USER-OMP, t = OPT.
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"snap (k)"_pair_snap.html,
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"soft (go)"_pair_soft.html,
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"sw (giko)"_pair_sw.html,
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"spin/dmi"_pair_spin_dmi.html,
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"spin/exchange"_pair_spin_exchange.html,
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"spin/magelec"_pair_spin_magelec.html,
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"spin/neel"_pair_spin_neel.html,
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"table (gko)"_pair_table.html,
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"tersoff (giko)"_pair_tersoff.html,
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"tersoff/mod (gko)"_pair_tersoff_mod.html,
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@ -95,6 +95,7 @@ Computes :h1
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compute_smd_ulsph_stress
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compute_smd_vol
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compute_sna_atom
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compute_spin
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compute_stress_atom
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compute_tally
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compute_tdpd_cc_atom
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@ -27,7 +27,7 @@ fix 2 all langevin/spin 300.0 0.01 21 :pre
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Apply a Langevin thermostat as described in "(Mayergoyz)"_#Mayergoyz1 to the
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magnetic spins associated to the atoms.
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Used with "fix integration spin"_fix_integration_spin.html, this command performs
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Used with "fix nve/spin"_fix_nve_spin.html, this command performs
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Brownian dynamics (BD).
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A random torque and a transverse dissipation are applied to each spin i according to
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the following stochastic differential equation:
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@ -48,9 +48,9 @@ Note: due to the form of the sLLG equation, this fix has to be defined just
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before the nve/spin fix (and after all other magnetic fixes).
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As an example:
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fix 1 all force/spin zeeman 0.01 0.0 0.0 1.0
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fix 1 all precession/spin zeeman 0.01 0.0 0.0 1.0
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fix 2 all langevin/spin 300.0 0.01 21
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fix 3 all integration/spin lattice yes :pre
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fix 3 all nve/spin lattice yes :pre
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is correct, but defining a force/spin command after the langevin/spin command
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would give an error message.
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@ -80,16 +80,15 @@ The {langevin/spin} fix is part of the SPIN package.
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This style is only enabled if LAMMPS was built with this package.
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See the "Making LAMMPS"_Section_start.html#start_3 section for more info.
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The numerical integration has to be performed with {fix/nve/spin}
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when {langevin/spin} is enabled.
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The numerical integration has to be performed with {fix nve/spin}
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when {fix langevin/spin} is enabled.
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This fix has to be the last defined magnetic fix before the integration fix
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("fix integration spin"_fix_integration_spin.html).
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This fix has to be the last defined magnetic fix before the time
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integration fix (e.g. {fix nve/spin}).
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[Related commands:]
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"fix integration spin"_fix_integration_spin.html,
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"pair spin"_pair_spin.html
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"fix nve/spin"_fix_nve_spin.html, "fix precession/spin"_fix_precession_spin.html
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[Default:] none
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@ -61,6 +61,7 @@ Fixes :h1
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fix_langevin
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fix_langevin_drude
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fix_langevin_eff
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fix_langevin_spin
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fix_latte
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fix_lb_fluid
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fix_lb_momentum
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@ -99,6 +100,7 @@ Fixes :h1
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fix_nve_manifold_rattle
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fix_nve_noforce
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fix_nve_sphere
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fix_nve_spin
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fix_nve_tri
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fix_nvk
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fix_nvt_asphere
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@ -114,6 +116,7 @@ Fixes :h1
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fix_planeforce
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fix_poems
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fix_pour
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fix_precession_spin
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fix_press_berendsen
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fix_print
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fix_property_atom
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@ -176,6 +176,7 @@ fix_ipi.html
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fix_langevin.html
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fix_langevin_drude.html
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fix_langevin_eff.html
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fix_langevin_spin.html
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fix_latte.html
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fix_lb_fluid.html
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fix_lb_momentum.html
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@ -213,6 +214,7 @@ fix_nve_line.html
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fix_nve_manifold_rattle.html
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fix_nve_noforce.html
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fix_nve_sphere.html
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fix_nve_spin.html
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fix_nve_tri.html
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fix_nvk.html
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fix_nvt_asphere.html
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@ -229,6 +231,7 @@ fix_pimd.html
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fix_planeforce.html
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fix_poems.html
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fix_pour.html
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fix_precession_spin.html
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fix_press_berendsen.html
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fix_print.html
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fix_property_atom.html
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@ -381,6 +384,7 @@ compute_smd_ulsph_strain_rate.html
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compute_smd_ulsph_stress.html
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compute_smd_vol.html
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compute_sna_atom.html
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compute_spin.html
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compute_stress_atom.html
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compute_tally.html
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compute_tdpd_cc_atom.html
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@ -506,6 +510,10 @@ pair_sph_lj.html
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pair_sph_rhosum.html
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pair_sph_taitwater.html
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pair_sph_taitwater_morris.html
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pair_spin_dmi.html
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pair_spin_exchange.html
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pair_spin_magelec.html
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pair_spin_neel.html
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pair_srp.html
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pair_sw.html
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pair_table.html
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@ -15,42 +15,42 @@ pair_style spin/exchange cutoff :pre
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cutoff = global cutoff pair (distance in metal units) :ulb,l
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:ule
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[Examples:]
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pair_style spin/exchange 4.0
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pair_style spin/exchange 4.0
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pair_coeff * * exchange 4.0 0.0446928 0.003496 1.4885
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pair_coeff 1 2 exchange 6.0 -0.01575 0.0 1.965 :pre
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[Description:]
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Style {spin/exchange} computes the exchange interaction between
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pairs of magnetic spins:
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pairs of magnetic spins:
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:c,image(Eqs/pair_spin_exchange_interaction.jpg)
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where si and sj are two neighboring magnetic spins of two particles,
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rij = ri - rj is the inter-atomic distance between the two particles,
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and J(rij) is a function defining the intensity and the sign of the exchange
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interaction.
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interaction.
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This function is defined as:
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:c,image(Eqs/pair_spin_exchange_function.jpg)
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where a, b and d are the three constant coefficients defined in the associated
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"pair_coeff" command.
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where a, b and d are the three constant coefficients defined in the associated
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"pair_coeff" command.
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The coefficients a, b, and d need to be fitted so that the function above matches with
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The coefficients a, b, and d need to be fitted so that the function above matches with
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the value of the exchange interaction for the N neighbor shells taken into account.
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Examples and more explanations about this function and its parametrization are reported
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Examples and more explanations about this function and its parametrization are reported
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in "(Tranchida)"_#Tranchida3.
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From this exchange interaction, each spin i will be submitted
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to a magnetic torque omega, and its associated atom can be submitted to a
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force F for spin-lattice calculations (see
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"fix_integration_spin"_fix_integration_spin.html), such as:
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force F for spin-lattice calculations (see "fix_nve_spin"_fix_nve_spin.html),
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such as:
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:c,image(Eqs/pair_spin_exchange_forces.jpg)
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@ -15,7 +15,7 @@ pair_style spin/me cutoff :pre
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cutoff = global cutoff pair (distance in metal units) :ulb,l
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:ule
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[Examples:]
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pair_style spin/me 4.5
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@ -29,16 +29,16 @@ pairs of magnetic spins. According to the derivation reported in
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:c,image(Eqs/pair_spin_me_interaction.jpg)
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where si and sj are neighboring magnetic spins of two particles,
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eij = (ri - rj)/|ri-rj| is the normalized separation vector between the
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where si and sj are neighboring magnetic spins of two particles,
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eij = (ri - rj)/|ri-rj| is the normalized separation vector between the
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two particles, and E is an electric polarization vector.
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The norm and direction of E are giving the intensity and the
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The norm and direction of E are giving the intensity and the
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direction of a screened dielectric atomic polarization (in eV).
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From this magneto-electric interaction, each spin i will be submitted
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From this magneto-electric interaction, each spin i will be submitted
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to a magnetic torque omega, and its associated atom can be submitted to a
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force F for spin-lattice calculations (see
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"fix_integration_spin"_fix_integration_spin.html), such as:
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force F for spin-lattice calculations (see "fix_nve_spin"_fix_nve_spin.html),
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such as:
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:c,image(Eqs/pair_spin_me_forces.jpg)
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@ -51,14 +51,14 @@ More details about the derivation of these torques/forces are reported in
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[Restrictions:]
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All the {pair/spin} styles are part of the SPIN package.
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All the {pair/spin} styles are part of the SPIN package.
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These styles are only enabled if LAMMPS was built with this package, and
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if the atom_style "spin" was declared.
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if the atom_style "spin" was declared.
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See the "Making LAMMPS"_Section_start.html#start_3 section for more info.
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[Related commands:]
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"atom_style spin"_atom_style.html, "pair_coeff"_pair_coeff.html,
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"atom_style spin"_atom_style.html, "pair_coeff"_pair_coeff.html,
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"pair_spin_exchange"_pair_spin_exchange.html, "pair_eam"_pair_eam.html,
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[Default:] none
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@ -97,6 +97,10 @@ Pair Styles :h1
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pair_sph_rhosum
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pair_sph_taitwater
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pair_sph_taitwater_morris
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pair_spin_dmi
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pair_spin_exchange
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pair_spin_magelec
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pair_spin_neel
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pair_srp
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pair_sw
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pair_table
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@ -9,7 +9,6 @@ Tutorials :h1
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tutorial_github
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tutorial_pylammps
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tutorial_bash_on_windows
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tutorial_spin
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body
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manifolds
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0
src/SPIN/pair_spin.cpp
Executable file → Normal file
0
src/SPIN/pair_spin.cpp
Executable file → Normal file
0
src/SPIN/pair_spin.h
Executable file → Normal file
0
src/SPIN/pair_spin.h
Executable file → Normal file
0
src/SPIN/pair_spin_dmi.cpp
Executable file → Normal file
0
src/SPIN/pair_spin_dmi.cpp
Executable file → Normal file
0
src/SPIN/pair_spin_dmi.h
Executable file → Normal file
0
src/SPIN/pair_spin_dmi.h
Executable file → Normal file
0
src/SPIN/pair_spin_exchange.cpp
Executable file → Normal file
0
src/SPIN/pair_spin_exchange.cpp
Executable file → Normal file
0
src/SPIN/pair_spin_exchange.h
Executable file → Normal file
0
src/SPIN/pair_spin_exchange.h
Executable file → Normal file
0
src/SPIN/pair_spin_magelec.cpp
Executable file → Normal file
0
src/SPIN/pair_spin_magelec.cpp
Executable file → Normal file
0
src/SPIN/pair_spin_magelec.h
Executable file → Normal file
0
src/SPIN/pair_spin_magelec.h
Executable file → Normal file
0
src/SPIN/pair_spin_neel.cpp
Executable file → Normal file
0
src/SPIN/pair_spin_neel.cpp
Executable file → Normal file
0
src/SPIN/pair_spin_neel.h
Executable file → Normal file
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src/SPIN/pair_spin_neel.h
Executable file → Normal file
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