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Clean up the main page, and remove useless SG logs (#92)
* Removes sg timings from the output * Reorganized main page to make it clearer Also removed unnecessary links to autogenerated rst files to further clean up the sitemap.
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CONTRIBUTING.rst

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If you still have problems adding your example to the repository, please feel
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free to contact one of the developers, e.g.
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`@agoscinski (Alexander Goscinski) <alexander.goscinski@epfl.ch>`_
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`@davidetisi (Davide Tisi) <davide.tisi@epfl.ch>`_
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Code of Conduct

INSTALLING.rst

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Installing a recipe
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===================
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The main repository contains the source files of all recipes, but you
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should only fetch the entire repository if you plan on contributing
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one (see also <CONTRIBUTING.rst>`_). If you are interested in learning
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the techniques discussed in a specific recipe, this is not recommended,
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as you will also have to understand the build mechanism for the
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website.
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.. marker-install-start
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Each recipe can be viewed online as an interactive HTML page, but
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can also be downloaded as a stand-alone ``.py`` script, or a
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``.ipynb`` Jupyter notebook.
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To simplify setting up an environment that contains all the dependencies
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needed for each recipe, you can also download an ``environment.yml`` file
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that you can use with conda to create a custom environment to run the example.
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If you have never used conda before, you may want to read this
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`beginners guide
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<https://docs.conda.io/projects/conda/en/latest/user-guide/getting-started.html>`_.
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.. code-block:: bash
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# Pick a name for the environment and replace <environment-name> with it
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conda env create --name <environment-name> --file environment.yml
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# when you want to use the environment
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conda env activate --name <environment-name>
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You can then execute the script from the command line, or open the
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notebook in Jupyter lab. Additional data needed for each example is usually
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either downloaded dynamically, or can be found in a ``data`` folder for each
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example, or downloaded as a ``data.zip`` file at the end of each recipe in
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the website. In the latter case, don't forget to unzip the file in the
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same folder as the ``.py`` or ``.ipynb`` files for the example.
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.. marker-install-end
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README.rst

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Atomistic Cookbook
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==================
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The source code for the Atomistic Cookbook is maintained
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as a GitHub pages site.
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The home page is accessible at https://atomistic-cookbook.org
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This repository contains the source code for the Atomistic Cookbook,
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that is automatically compiled and deployed as a GitHub pages site,
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accessible at https://atomistic-cookbook.org
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.. marker-intro-start
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This cookbook contains recipes for atomic-scale modelling for materials and
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The cookbook contains recipes for atomic-scale modelling for materials and
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molecules, with a particular focus on machine learning and statistical
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sampling methods.
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Most of the examples rely heavily on software developed by the laboratory of
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concrete examples of the solution of modeling problems, often using a combination
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of several tools.
2020

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You can view the recipes online, compiled as webpages containing explanations,
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code snippets, plots and interactive viewers based on
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`chemiscope <https://chemiscope.org>`_. However, it is also possible (and
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hopefully simple) to download scripts, and `conda environments
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<https://docs.conda.io/projects/conda/en/latest/user-guide/getting-started.html>`_,
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to run the recipe on your computer, and that you can use as a starting point to
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adapt them to your own use case.
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.. marker-intro-end
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Contributors
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Contributing
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------------
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If you want contribute an example, recipe or tutorial that combines multiple software

docs/src/conf.py

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htmlhelp_basename = "The Atomistic Cookbook"
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html_theme = "furo"
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html_theme_options = {
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"top_of_page_buttons": [],
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}
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html_static_path = ["_static"]
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html_favicon = "_static/cookbook-icon.png"
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html_logo = "_static/cookbook-icon.svg"

docs/src/downloading.rst

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Downloading and running the recipes
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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.. include:: ../../INSTALLING.rst
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:start-after: marker-install-start
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:end-before: marker-install-end

docs/src/index.rst

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:start-after: marker-intro-start
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:end-before: marker-intro-end
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Downloading and running the recipes
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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Each recipe can be viewed online as an interactive HTML page, but
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can also be downloaded as a stand-alone ``.py`` script of
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``.ipynb`` Jupyter notebook.
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To simplify setting up an environment that contains all the dependencies
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needed for each recipe, you can also download an ``environment.yml`` file
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that you can use with conda to create a custom environment to run the example.
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.. code-block:: bash
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# Pick a name for the environment and replace <environment-name> with it
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conda env create --name <environment-name> --file environment.yml
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# when you want to use the environment
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conda env activate --name <environment-name>
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Additional data needed for each example is usually either downloaded
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dynamically, or can be found in a ``data`` folder for each example,
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or downloaded as a ``data.zip`` file at the end of each recipe in
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the website.
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Table of contents
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~~~~~~~~~~~~~~~~~
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topics/index
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software/index
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all-examples
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downloading
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contributing
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Recipe of the day

src/generate-gallery.py

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"filename_pattern": ".*",
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"examples_dirs": os.path.join(ROOT, example),
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"gallery_dirs": gallery_dir,
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"min_reported_time": 60,
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"write_computation_times": False,
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"copyfile_regex": r".*\.(sh|xyz|cp2k|yml|png|zip)",
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"matplotlib_animations": True,
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"within_subsection_order": "FileNameSortKey",

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