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.. grogupy documentation master file, created by
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sphinx-quickstart on Thu Oct 10 17:10:03 2024.
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You can adapt this file completely to your liking, but it should at least
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contain the root `toctree` directive.
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.. module:: grogupy
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.. title:: grogupy: Script for calculating magnetic interactions
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.. meta::
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:description: Relativistic magnetic interactions from non-orthogonal basis sets.
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:keywords: DFT, physics, grogu, magnetic interactions, Siesta
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grogupy: Script for calculating magnetic interactions
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=====================================================
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Groupy is a generalized python script based on the Grogu matlab implementation.
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More on the theoretical background can be seen `here <https://arxiv.org/abs/2309.02558>`_.
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.. grid:: 1 1 2 2
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:gutter: 2
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.. grid-item-card:: -- Quick-start guides
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:link: quickstart/index
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:link-type: doc
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Basic tutorial on how to use the `grogupy` script.
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.. grid-item-card:: -- Implementation
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:link: implementation/modules
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:link-type: doc
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Detailed description of the implementation.
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.. toctree::
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:hidden:
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:maxdepth: 2
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:caption: Getting started
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introduction
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quickstart/index
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cite
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.. toctree::
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:hidden:
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:maxdepth: 2
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:caption: User Guide
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tutorials/index
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.. toctree::
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:hidden:
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:maxdepth: 2
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:caption: Advanced usage
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implementation/modules
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implementation/grogupy
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implementation/environment
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.. toctree::
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:hidden:
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:maxdepth: 2
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:caption: Development
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dev/index
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.. toctree::
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:hidden:
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:maxdepth: 3
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:caption: Extras
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changelog/index
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bibliography
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Indices and tables
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==================
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* :ref:`genindex`
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* :ref:`modindex`
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* :ref:`search`
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