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14 changes: 6 additions & 8 deletions docs/source/index.rst
Original file line number Diff line number Diff line change
Expand Up @@ -12,6 +12,12 @@ Spin Hamiltonian format
**Desired duration** Two-three months
===================== ========================================

.. toctree::
:hidden:

fdp/index
spinham-zoo/index

Workflow
========

Expand All @@ -27,12 +33,6 @@ What is an FDP?

See :ref:`fdp-0` for the description of FDP concept and workflow.

.. toctree::
:maxdepth: 1

fdp/index


Finalization of the design stage
================================

Expand All @@ -42,5 +42,3 @@ notification to everyone) can be made by any member and if no new FDP appear
after XX>7 days after the call, then the work will move to the implementation
stage.



40 changes: 40 additions & 0 deletions docs/source/spinham-zoo/espins.rst
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.. _zoo_espins:

******
EspinS
******

========= ======================================================================
========= ======================================================================
Status Draft
Links `DOI <https://doi.org/10.1016/j.commatsci.2021.110947>`_,
`Github <https://github.com/nafiserb/ESpinS>`_
Languages Fortran90, Python
========= ======================================================================

Spin Hamiltonian
================

.. math::

\mathcal{H}
=&
\underbrace{\sum_{i}\Delta_i\,(\hat{z}_i\cdot\mathbf{S}_i)^2}_{\text{single-ion term}}
+
\underbrace{\sum_{i}\mathbf{B}\cdot\mathbf{S}_i}_{\text{magnetic field}}
-\\&-
\underbrace{\frac{1}{2}\sum_{i,j}J_{ij}\,\mathbf{S}_i\cdot\mathbf{S}_j}_{\text{exchange term}}
+
\underbrace{\frac{1}{2}\sum_{i,j}\mathbf{D}_{ij}\cdot(\mathbf{S}_i\times\mathbf{S}_j)}_{\text{Dzyaloshinskii-Moriya term}}
+\\&+
\underbrace{\frac{1}{2}\sum_{i,j}B_{ij}\left(\mathbf{S}_i\cdot\mathbf{S}_j\right)^2}_{\text{bi-quadratic term}}

Convention
==========


================= ===
================= ===
Spin normalized no
Multiple counting yes
================= ===
51 changes: 51 additions & 0 deletions docs/source/spinham-zoo/grogu.rst
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.. _zoo_grogu:

*****
GROGU
*****

========= ======================================================================
========= ======================================================================
Status Draft
Links `Docs <https://grogupy.readthedocs.io/en/stable/>`_,
`DOI <https://doi.org/10.1103/PhysRevB.108.214418>`_,
`Zenodo <https://zenodo.org/records/17459345>`_
Languages Python
========= ======================================================================

Spin Hamiltonian
================

.. math::

\mathcal{H}
=
\frac{1}{2}
\sum_{i\neq j}
\boldsymbol{e}_{i}
\cdot
\boldsymbol{J}_{ij}
\cdot
\boldsymbol{e}_{j}
+
\sum_{i}
\boldsymbol{e}_{i}
\cdot
\boldsymbol{K}_{i}
\cdot
\boldsymbol{e}_{i},

where :math:`\boldsymbol{e}_{i} = 1 / (\hbar S_i) \boldsymbol{S}_{i}` is a unit
vector of the angular momentum vector and :math:`\boldsymbol{J}_{ij}`, and
:math:`\boldsymbol{K}_{i}` are the exchange and on-site anisotropy tensors
respectively.

Convention
==========


================= ===
================= ===
Spin normalized yes
Multiple counting yes
================= ===
44 changes: 44 additions & 0 deletions docs/source/spinham-zoo/index.rst
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.. _zoo:

*******************
Zoo of Hamiltonians
*******************

The status of each page is either "Verified" or "Draft". "Verified" means that
the page content have been verified by the developer of the respective tool.

Convention of the spin Hamiltonian is defined by their form (constants before
the sums) and two properties:

* Whether spin vectors are normalised or not.

* ``yes``: :math:`\vert \mathbf{S}_i \vert = 1`
* ``no``: :math:`\vert \mathbf{S}_i \vert = S_i`

* Whether multiple counting is implied in the sums or not.

* ``yes``: both :math:`i \rightarrow j` and :math:`j \rightarrow i` are
included.
* ``no``: only one direction is included.

For multiple counting the example is given for 2-sites terms of the Hamiltonian,
the same concept is generalizable for terms that involve more than 2 sites.


.. toctree::
:maxdepth: 1

espins
grogu
jukkr
magnopy
magpie
mcphase
questaal
spinw
spirit
sunny
tb2j
uppasd
vampire

47 changes: 47 additions & 0 deletions docs/source/spinham-zoo/jukkr.rst
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.. _zoo_juKKR:

*****
juKKR
*****

========= ======================================================================
========= ======================================================================
Status Draft
Links `Web <https://jukkr.fz-juelich.de>`_
Languages Fortran
========= ======================================================================

Spin Hamiltonian
================

.. math::

\mathcal{H}
=
\sum_{i}
\mathbf{S}_{i}
\cdot
\boldsymbol{A}_{i}
\cdot
\mathbf{S}_{i}
+
(?)
\sum_{i,j}
\mathbf{S}_{i}
\cdot
\boldsymbol{J}_{ij}
\cdot
\mathbf{S}_{j},

where first term is a second order onsite magnetic anisotropy and the second
term is the pairwise interaction between spins, that includes Heisenberg J,
Dzyaloshinskii-Moriya vector and 5 remaining symmetric anisotropic components.

Convention
==========

================= ===
================= ===
Spin normalized ?
Multiple counting ?
================= ===
40 changes: 40 additions & 0 deletions docs/source/spinham-zoo/magnopy.rst
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.. _zoo_magnopy:

*******
Magnopy
*******

========= ======================================================================
========= ======================================================================
Status Verified
Links `Docs <https://magnopy.org>`_,
`Github <https://github.com/magnopy>`_
Languages Python
========= ======================================================================

Spin Hamiltonian
================

.. math::

\mathcal{H}
=
\sum_{n=1}^{n=4}
C_n
\sum_{\substack{\mu_1,...,\mu_n,\\i_1,...,i_n}}
J_{\mu_1,...,\mu_n}^{i_1,...,i_n}
\prod_{m=1}^{n}
S_{\mu_m}^{i_m}

where real constants :math:`C_n` are arbitrary and used to support any
convention.

Convention
==========


================= ===
================= ===
Spin normalized any
Multiple counting any
================= ===
57 changes: 57 additions & 0 deletions docs/source/spinham-zoo/magpie.rst
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.. _zoo_magpie:

******
Magpie
******

========= ======================================================================
========= ======================================================================
Status Draft
Links `Github <https://github.com/ILLGrenoble/magpie>`_
Languages C++20
========= ======================================================================

Spin Hamiltonian
================

.. math::

\mathcal{H}
=
(?)
\sum_i
\mathbf{S}_i
\cdot
\mathbf{A}_i
\cdot
\mathbf{S}_i
-
\sum_{i \neq j}
J_{ij}
\,
\mathbf{S}_i
\cdot
\mathbf{S}_j
+(?)
\sum_{i \neq j}
\mathbf{D}_{ij}
\cdot
\left(
\mathbf{S}_i
\times
\mathbf{S}_j
\right)

where :math:`J_{ij}` is a Heisenberg interaction, :math:`\mathbf{D}_{ij}` is a
Dzyaloshinskii-Moryia interactions and :math:`\mathbf{A}_i` is a single-ion
anisotropy.

Convention
==========

================= ===
================= ===
Spin normalized ?
Multiple counting ?
================= ===

27 changes: 27 additions & 0 deletions docs/source/spinham-zoo/mcphase.rst
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.. _zoo_mcphase:

*******
McPhase
*******

========= ======================================================================
========= ======================================================================
Status Draft
Links `Web <https://mcphase.github.io/webpage/>`_
Languages (?)
========= ======================================================================

Spin Hamiltonian
================

TODO

Convention
==========


================= ===
================= ===
Spin normalized ?
Multiple counting ?
================= ===
36 changes: 36 additions & 0 deletions docs/source/spinham-zoo/questaal.rst
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@@ -0,0 +1,36 @@
.. _zoo_questaal:

********
QUESTAAL
********

========= ======================================================================
========= ======================================================================
Status Draft
Links `DOI <https://doi.org/10.1016/j.cpc.2019.107065>`_
Languages Fortran
========= ======================================================================

Spin Hamiltonian
================

.. math::

\mathcal{H}
=
-\sum_{ij}
J_{ij}
\,
\mathbf{e}_i
\cdot
\mathbf{e}_j

Convention
==========

================= ===
================= ===
Spin normalized yes
Multiple counting yes
================= ===

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