Commit 1b8669c6 authored by julient31's avatar julient31
Browse files

Commit JT 042018, new spin/precession and pair/spin (peru virtual)

parent ce80d1a3
Loading
Loading
Loading
Loading
+18 −4
Changes for doc/src/fix_precession_spin.txt: 18 added lines, 4 removed lines.
Original line number Diff line number Diff line
@@ -14,11 +14,11 @@ fix ID group precession/spin style args :pre

ID, group are documented in "fix"_fix.html command :ulb,l
precession/spin = style name of this fix command :l
style = {zeeman} or {aniso} :l
style = {zeeman} or {anisotropy} :l
  {zeeman} args = H x y z 
    H = intensity of the magnetic field (in Tesla)
    x y z = vector direction of the field
  {aniso} args = K x y z
  {anisotropy} args = K x y z
    K = intensity of the magnetic anisotropy (in eV)
    x y z = vector direction of the anisotropy :pre
:ule
@@ -26,7 +26,8 @@ style = {zeeman} or {aniso} :l
[Examples:]

fix 1 all precession/spin zeeman 0.1 0.0 0.0 1.0
fix 1 all precession/spin aniso 0.001 0.0 0.0 1.0 :pre
fix 1 all precession/spin anisotropy 0.001 0.0 0.0 1.0 
fix 1 all precession/spin zeeman 0.1 0.0 0.0 1.0 anisotropy 0.001 0.0 0.0 1.0 :pre

[Description:]

@@ -41,7 +42,7 @@ magnetic field:
with mu0 the vacuum permeability, muB the Bohr magneton (muB = 5.788 eV/T 
in metal units). 

Style {aniso} is used to simulate an easy axis or an easy plane 
Style {anisotropy} is used to simulate an easy axis or an easy plane 
for the magnetic spins in the defined group: 

:c,image(Eqs/force_spin_aniso.jpg)
@@ -52,10 +53,23 @@ If K>0, an easy axis is defined, and if K<0, an easy plane is defined.
In both cases, the choice of (x y z) imposes the vector direction for the force. 
Only the direction of the vector is important; it's length is ignored.  

Both styles can be combined within one single command line. 

:line

[Restart, fix_modify, output, run start/stop, minimize info:]

By default, the energy associated to this fix is not added to the potential 
energy of the system. 
The "fix_modify"_fix_modify.html {energy} option is supported by this fix 
to add this magnetic potential energy to the potential energy of the system, 

fix             1 all precession/spin zeeman 1.0 0.0 0.0 1.0
fix_modify      1 energy yes :pre

This fix computes a global scalar which can be accessed by various 
"output commands"_Section_howto.html#howto_15. 

No information about this fix is written to "binary restart
files"_restart.html.

+4 −4
Changes for doc/src/pair_spin_dmi.txt: 4 added lines, 4 removed lines.
Original line number Diff line number Diff line
@@ -6,11 +6,11 @@

:line

pair_style pair/spin/dmi command :h3
pair_style spin/dmi command :h3

[Syntax:]

pair_style pair/spin/dmi cutoff :pre
pair_style spin/dmi cutoff :pre

cutoff = global cutoff pair (distance in metal units) :ulb,l

@@ -18,13 +18,13 @@ cutoff = global cutoff pair (distance in metal units) :ulb,l
	
[Examples:]

pair_style pair/spin/dmi 4.0
pair_style 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:]

Style {pair/spin/dmi} computes the Dzyaloshinskii-Moriya (DM) interaction
Style {spin/dmi} computes the Dzyaloshinskii-Moriya (DM) interaction
between pairs of magnetic spins: 

:c,image(Eqs/pair_spin_dmi_interaction.jpg)
+4 −4
Changes for doc/src/pair_spin_exchange.txt: 4 added lines, 4 removed lines.
Original line number Diff line number Diff line
@@ -6,11 +6,11 @@

:line

pair_style pair/spin/exchange command :h3
pair_style spin/exchange command :h3

[Syntax:]

pair_style pair/spin/exchange cutoff :pre
pair_style spin/exchange cutoff :pre

cutoff = global cutoff pair (distance in metal units) :ulb,l

@@ -18,13 +18,13 @@ cutoff = global cutoff pair (distance in metal units) :ulb,l
	
[Examples:]

pair_style pair/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 {pair/spin/exchange} computes the exchange interaction between 
Style {spin/exchange} computes the exchange interaction between 
pairs of magnetic spins: 

:c,image(Eqs/pair_spin_exchange_interaction.jpg)
Loading