.. grogupy documentation master file, created by
   sphinx-quickstart on Thu Oct 10 17:10:03 2024.
   You can adapt this file completely to your liking, but it should at least
   contain the root `toctree` directive.


.. module:: grogupy

.. title:: grogupy: Script for calculating magnetic interactions 
.. meta::
   :description: Relativistic magnetic interactions from non-orthogonal basis sets.
   :keywords: DFT, physics, grogu, magnetic interactions, Siesta


grogupy: Script for calculating magnetic interactions 
=====================================================

Groupy is a generalized python script based on the Grogu matlab implementation. 
More on the theoretical background can be seen `here <https://arxiv.org/abs/2309.02558>`_.

.. grid:: 1 1 2 2
    :gutter: 2

    .. grid-item-card:: -- Quick-start guides
        :link: quickstart/index
        :link-type: doc

        Basic tutorial on how to use the `grogupy` script.

    .. grid-item-card::  -- Implementation
        :link: implementation/modules
        :link-type: doc

        Detailed description of the implementation.


.. toctree::
   :hidden:
   :maxdepth: 2
   :caption: Getting started

   introduction
   quickstart/index
   cite

.. toctree::
   :hidden:
   :maxdepth: 2
   :caption: User Guide

   tutorials/index

.. toctree::
   :hidden:
   :maxdepth: 2
   :caption: Advanced usage

   implementation/modules
   implementation/grogupy
   implementation/environment
   
.. toctree::
   :hidden:
   :maxdepth: 2
   :caption: Development

   dev/index

.. toctree::
   :hidden:
   :maxdepth: 3
   :caption: Extras

   changelog/index
   bibliography


Indices and tables
==================

* :ref:`genindex`
* :ref:`modindex`
* :ref:`search`