integrate SPIN package into documentation, fix links and make it consistent

This commit is contained in:
Axel Kohlmeyer
2018-06-18 18:36:30 -04:00
parent 605b4dca22
commit d4861e71d2
19 changed files with 52 additions and 30 deletions

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@ -583,6 +583,7 @@ USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
"indent"_fix_indent.html,
"latte"_fix_latte.html,
"langevin (k)"_fix_langevin.html,
"langevin/spin"_fix_langevin_spin.hmtl,
"lineforce"_fix_lineforce.html,
"momentum (k)"_fix_momentum.html,
"move"_fix_move.html,
@ -606,6 +607,7 @@ USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
"nve/line"_fix_nve_line.html,
"nve/noforce"_fix_nve_noforce.html,
"nve/sphere (o)"_fix_nve_sphere.html,
"nve/spin"_fix_nve_spin.html,
"nve/tri"_fix_nve_tri.html,
"nvt (iko)"_fix_nh.html,
"nvt/asphere (o)"_fix_nvt_asphere.html,
@ -618,6 +620,7 @@ USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
"planeforce"_fix_planeforce.html,
"poems"_fix_poems.html,
"pour"_fix_pour.html,
"precession/spin"_fix_precession_spin.html,
"press/berendsen"_fix_press_berendsen.html,
"print"_fix_print.html,
"property/atom (k)"_fix_property_atom.html,
@ -824,6 +827,7 @@ KOKKOS, o = USER-OMP, t = OPT.
"sna/atom"_compute_sna_atom.html,
"snad/atom"_compute_sna_atom.html,
"snav/atom"_compute_sna_atom.html,
"spin"_compute_spin.html,
"stress/atom"_compute_stress_atom.html,
"temp (k)"_compute_temp.html,
"temp/asphere"_compute_temp_asphere.html,
@ -1017,6 +1021,10 @@ KOKKOS, o = USER-OMP, t = OPT.
"snap (k)"_pair_snap.html,
"soft (go)"_pair_soft.html,
"sw (giko)"_pair_sw.html,
"spin/dmi"_pair_spin_dmi.html,
"spin/exchange"_pair_spin_exchange.html,
"spin/magelec"_pair_spin_magelec.html,
"spin/neel"_pair_spin_neel.html,
"table (gko)"_pair_table.html,
"tersoff (giko)"_pair_tersoff.html,
"tersoff/mod (gko)"_pair_tersoff_mod.html,

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@ -95,6 +95,7 @@ Computes :h1
compute_smd_ulsph_stress
compute_smd_vol
compute_sna_atom
compute_spin
compute_stress_atom
compute_tally
compute_tdpd_cc_atom

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@ -27,7 +27,7 @@ fix 2 all langevin/spin 300.0 0.01 21 :pre
Apply a Langevin thermostat as described in "(Mayergoyz)"_#Mayergoyz1 to the
magnetic spins associated to the atoms.
Used with "fix integration spin"_fix_integration_spin.html, this command performs
Used with "fix nve/spin"_fix_nve_spin.html, this command performs
Brownian dynamics (BD).
A random torque and a transverse dissipation are applied to each spin i according to
the following stochastic differential equation:
@ -48,9 +48,9 @@ Note: due to the form of the sLLG equation, this fix has to be defined just
before the nve/spin fix (and after all other magnetic fixes).
As an example:
fix 1 all force/spin zeeman 0.01 0.0 0.0 1.0
fix 1 all precession/spin zeeman 0.01 0.0 0.0 1.0
fix 2 all langevin/spin 300.0 0.01 21
fix 3 all integration/spin lattice yes :pre
fix 3 all nve/spin lattice yes :pre
is correct, but defining a force/spin command after the langevin/spin command
would give an error message.
@ -80,16 +80,15 @@ The {langevin/spin} fix is part of the SPIN package.
This style is only enabled if LAMMPS was built with this package.
See the "Making LAMMPS"_Section_start.html#start_3 section for more info.
The numerical integration has to be performed with {fix/nve/spin}
when {langevin/spin} is enabled.
The numerical integration has to be performed with {fix nve/spin}
when {fix langevin/spin} is enabled.
This fix has to be the last defined magnetic fix before the integration fix
("fix integration spin"_fix_integration_spin.html).
This fix has to be the last defined magnetic fix before the time
integration fix (e.g. {fix nve/spin}).
[Related commands:]
"fix integration spin"_fix_integration_spin.html,
"pair spin"_pair_spin.html
"fix nve/spin"_fix_nve_spin.html, "fix precession/spin"_fix_precession_spin.html
[Default:] none

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@ -61,6 +61,7 @@ Fixes :h1
fix_langevin
fix_langevin_drude
fix_langevin_eff
fix_langevin_spin
fix_latte
fix_lb_fluid
fix_lb_momentum
@ -99,6 +100,7 @@ Fixes :h1
fix_nve_manifold_rattle
fix_nve_noforce
fix_nve_sphere
fix_nve_spin
fix_nve_tri
fix_nvk
fix_nvt_asphere
@ -114,6 +116,7 @@ Fixes :h1
fix_planeforce
fix_poems
fix_pour
fix_precession_spin
fix_press_berendsen
fix_print
fix_property_atom

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@ -176,6 +176,7 @@ fix_ipi.html
fix_langevin.html
fix_langevin_drude.html
fix_langevin_eff.html
fix_langevin_spin.html
fix_latte.html
fix_lb_fluid.html
fix_lb_momentum.html
@ -213,6 +214,7 @@ fix_nve_line.html
fix_nve_manifold_rattle.html
fix_nve_noforce.html
fix_nve_sphere.html
fix_nve_spin.html
fix_nve_tri.html
fix_nvk.html
fix_nvt_asphere.html
@ -229,6 +231,7 @@ fix_pimd.html
fix_planeforce.html
fix_poems.html
fix_pour.html
fix_precession_spin.html
fix_press_berendsen.html
fix_print.html
fix_property_atom.html
@ -381,6 +384,7 @@ compute_smd_ulsph_strain_rate.html
compute_smd_ulsph_stress.html
compute_smd_vol.html
compute_sna_atom.html
compute_spin.html
compute_stress_atom.html
compute_tally.html
compute_tdpd_cc_atom.html
@ -506,6 +510,10 @@ pair_sph_lj.html
pair_sph_rhosum.html
pair_sph_taitwater.html
pair_sph_taitwater_morris.html
pair_spin_dmi.html
pair_spin_exchange.html
pair_spin_magelec.html
pair_spin_neel.html
pair_srp.html
pair_sw.html
pair_table.html

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@ -15,42 +15,42 @@ pair_style spin/exchange cutoff :pre
cutoff = global cutoff pair (distance in metal units) :ulb,l
:ule
[Examples:]
pair_style spin/exchange 4.0
pair_style spin/exchange 4.0
pair_coeff * * exchange 4.0 0.0446928 0.003496 1.4885
pair_coeff 1 2 exchange 6.0 -0.01575 0.0 1.965 :pre
[Description:]
Style {spin/exchange} computes the exchange interaction between
pairs of magnetic spins:
pairs of magnetic spins:
:c,image(Eqs/pair_spin_exchange_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,
and J(rij) is a function defining the intensity and the sign of the exchange
interaction.
interaction.
This function is defined as:
:c,image(Eqs/pair_spin_exchange_function.jpg)
where a, b and d are the three constant coefficients defined in the associated
"pair_coeff" command.
where a, b and d are the three constant coefficients defined in the associated
"pair_coeff" command.
The coefficients a, b, and d need to be fitted so that the function above matches with
The coefficients a, b, and d need to be fitted so that the function above matches with
the value of the exchange interaction for the N neighbor shells taken into account.
Examples and more explanations about this function and its parametrization are reported
Examples and more explanations about this function and its parametrization are reported
in "(Tranchida)"_#Tranchida3.
From this exchange interaction, each spin i will be submitted
to a magnetic torque omega, and its associated atom can be submitted to a
force F for spin-lattice calculations (see
"fix_integration_spin"_fix_integration_spin.html), such as:
force F for spin-lattice calculations (see "fix_nve_spin"_fix_nve_spin.html),
such as:
:c,image(Eqs/pair_spin_exchange_forces.jpg)

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@ -15,7 +15,7 @@ pair_style spin/me cutoff :pre
cutoff = global cutoff pair (distance in metal units) :ulb,l
:ule
[Examples:]
pair_style spin/me 4.5
@ -29,16 +29,16 @@ pairs of magnetic spins. According to the derivation reported in
:c,image(Eqs/pair_spin_me_interaction.jpg)
where si and sj are neighboring magnetic spins of two particles,
eij = (ri - rj)/|ri-rj| is the normalized separation vector between the
where si and sj are neighboring magnetic spins of two particles,
eij = (ri - rj)/|ri-rj| is the normalized separation vector between the
two particles, and E is an electric polarization vector.
The norm and direction of E are giving the intensity and the
The norm and direction of E are giving the intensity and the
direction of a screened dielectric atomic polarization (in eV).
From this magneto-electric interaction, each spin i will be submitted
From this magneto-electric interaction, each spin i will be submitted
to a magnetic torque omega, and its associated atom can be submitted to a
force F for spin-lattice calculations (see
"fix_integration_spin"_fix_integration_spin.html), such as:
force F for spin-lattice calculations (see "fix_nve_spin"_fix_nve_spin.html),
such as:
:c,image(Eqs/pair_spin_me_forces.jpg)
@ -51,14 +51,14 @@ More details about the derivation of these torques/forces are reported in
[Restrictions:]
All the {pair/spin} styles are part of the SPIN package.
All the {pair/spin} styles are part of the SPIN package.
These styles are only enabled if LAMMPS was built with this package, and
if the atom_style "spin" was declared.
if the atom_style "spin" was declared.
See the "Making LAMMPS"_Section_start.html#start_3 section for more info.
[Related commands:]
"atom_style spin"_atom_style.html, "pair_coeff"_pair_coeff.html,
"atom_style spin"_atom_style.html, "pair_coeff"_pair_coeff.html,
"pair_spin_exchange"_pair_spin_exchange.html, "pair_eam"_pair_eam.html,
[Default:] none

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@ -97,6 +97,10 @@ Pair Styles :h1
pair_sph_rhosum
pair_sph_taitwater
pair_sph_taitwater_morris
pair_spin_dmi
pair_spin_exchange
pair_spin_magelec
pair_spin_neel
pair_srp
pair_sw
pair_table

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@ -9,7 +9,6 @@ Tutorials :h1
tutorial_github
tutorial_pylammps
tutorial_bash_on_windows
tutorial_spin
body
manifolds

0
src/SPIN/pair_spin.cpp Executable file → Normal file
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0
src/SPIN/pair_spin.h Executable file → Normal file
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0
src/SPIN/pair_spin_dmi.cpp Executable file → Normal file
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0
src/SPIN/pair_spin_dmi.h Executable file → Normal file
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0
src/SPIN/pair_spin_exchange.cpp Executable file → Normal file
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0
src/SPIN/pair_spin_exchange.h Executable file → Normal file
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0
src/SPIN/pair_spin_magelec.cpp Executable file → Normal file
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0
src/SPIN/pair_spin_magelec.h Executable file → Normal file
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0
src/SPIN/pair_spin_neel.cpp Executable file → Normal file
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0
src/SPIN/pair_spin_neel.h Executable file → Normal file
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