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DOC: Added a very simple getting started page
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pastewka committed Jan 15, 2024
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26 changes: 26 additions & 0 deletions docs/getting_started.rst
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`matscipy`
==========

Matscipy is a generic materials science toolbox built around the `Atomic
Simulation Environment (ASE) <https://wiki.fysik.dtu.dk/ase/>`__. It provides
useful routines for electrochemistry, dislocations, fracture mechanics, tribology and others.

Getting started
---------------

`matscipy` can used in two different modes: As a library in your own Python code or using the command-line interface.
The command-line interface implements specific workflows on top of the library.

Using the library
~~~~~~~~~~~~~~~~~

As an example of how to use the programmatic interface, explore the
`computation of elastic constants <applications/elastic_constants.html>`_ or how to
`build systems with cracks <applications/fracture_mechanics.html>`_.

Via the command-line interface
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

The command line interface packages workflows. Common workflows include the
`computation of root-mean-square displacements for diffusion problems <cli/diffusion.html>`_ or the
`quenching of amorphous structures <cli/structure.html>`_.
4 changes: 2 additions & 2 deletions docs/index.rst
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.. include:: ../README.rst
.. include:: getting_started.rst

.. toctree::
:maxdepth: 2
:caption: Table of Contents:
:caption: Table of Contents

self
./applications/index
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