Correcting some aspects of the SPIN package documentation.

This commit is contained in:
Julien Tranchida 2022-09-26 07:43:19 +02:00
parent 1ef2c8c5dc
commit 90f26f05fc
4 changed files with 17 additions and 13 deletions

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@ -30,9 +30,11 @@ can be coupled to another Langevin thermostat applied to the atoms
using :doc:`fix langevin <fix_langevin>` in order to simulate
thermostatted spin-lattice systems.
The magnetic Gilbert damping can also be applied using :doc:`fix langevin/spin <fix_langevin_spin>`. 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 magnetic damping can also be applied
using :doc:`fix langevin/spin <fix_langevin_spin>`.
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 :doc:`fix setforce/spin <fix_setforce>` allows to set the
components of the magnetic precession vectors (while erasing and
@ -52,9 +54,11 @@ All the computed magnetic properties can be output by two main
commands. The first one is :doc:`compute spin <compute_spin>`, that
enables to evaluate magnetic averaged quantities, such as the total
magnetization of the system along x, y, or z, the spin temperature, or
the magnetic energy. The second command is :doc:`compute property/atom <compute_property_atom>`. It enables to output all the
per atom magnetic quantities. Typically, the orientation of a given
magnetic spin, or the magnetic force acting on this spin.
the magnetic energy. The second command
is :doc:`compute property/atom <compute_property_atom>`.
It enables to output all the per atom magnetic quantities. Typically,
the orientation of a given magnetic spin, or the magnetic force
acting on this spin.
----------

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@ -40,7 +40,7 @@ the following stochastic differential equation:
\times\left( \vec{\omega}_{i} \times\vec{s}_{i} \right) \right)
with :math:`\lambda` the transverse damping, and :math:`\eta` a random vector.
This equation is referred to as the stochastic Landau-Lifshitz-Gilbert (sLLG)
This equation is referred to as the stochastic Landau-Lifshitz (sLL)
equation.
The components of :math:`\eta` are drawn from a Gaussian probability
@ -49,7 +49,7 @@ the external thermostat T (in K in metal units).
More details about this implementation are reported in :ref:`(Tranchida) <Tranchida2>`.
Note: due to the form of the sLLG equation, this fix has to be defined just
Note: due to the form of the sLL equation, this fix has to be defined just
before the nve/spin fix (and after all other magnetic fixes).
As an example:

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@ -24,7 +24,7 @@ Syntax
inf = max force component across all 3-vectors
max = max force norm across all 3-vectors
*alpha_damp* value = damping
damping = fictitious Gilbert damping for spin minimization (adim)
damping = fictitious magnetic damping for spin minimization (adim)
*discrete_factor* value = factor
factor = discretization factor for adaptive spin timestep (adim)
*integrator* value = *eulerimplicit* or *verlet*
@ -109,9 +109,9 @@ norm is replaced by the spin-torque norm.
Keywords *alpha_damp* and *discrete_factor* only make sense when
a :doc:`min_spin <min_spin>` command is declared.
Keyword *alpha_damp* defines an analog of a magnetic Gilbert
damping. It defines a relaxation rate toward an equilibrium for
a given magnetic system.
Keyword *alpha_damp* defines an analog of a magnetic damping.
It defines a relaxation rate toward an equilibrium for a given
magnetic system.
Keyword *discrete_factor* defines a discretization factor for the
adaptive timestep used in the *spin* minimization.
See :doc:`min_spin <min_spin>` for more information about those

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@ -39,7 +39,7 @@ timestep, according to:
\frac{d \vec{s}_{i}}{dt} = \lambda\, \vec{s}_{i} \times\left( \vec{\omega}_{i} \times\vec{s}_{i} \right)
with :math:`\lambda` a damping coefficient (similar to a Gilbert
with :math:`\lambda` a damping coefficient (similar to a magnetic
damping). :math:`\lambda` can be defined by setting the
*alpha_damp* keyword with the :doc:`min_modify <min_modify>` command.