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‎CODE_OF_CONDUCT.md

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# Contributor Covenant Code of Conduct
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## Our Pledge
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We as members, contributors, and leaders pledge to make participation in our
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community a harassment-free experience for everyone, regardless of age, body
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size, visible or invisible disability, ethnicity, sex characteristics, gender
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identity and expression, level of experience, education, socio-economic status,
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nationality, personal appearance, race, religion, or sexual identity
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and orientation.
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We pledge to act and interact in ways that contribute to an open, welcoming,
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diverse, inclusive, and healthy community.
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## Our Standards
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Examples of behavior that contributes to a positive environment for our
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community include:
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* Demonstrating empathy and kindness toward other people
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* Being respectful of differing opinions, viewpoints, and experiences
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* Giving and gracefully accepting constructive feedback
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* Accepting responsibility and apologizing to those affected by our mistakes,
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and learning from the experience
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* Focusing on what is best not just for us as individuals, but for the
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overall community
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Examples of unacceptable behavior include:
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* The use of sexualized language or imagery, and sexual attention or
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advances of any kind
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* Trolling, insulting or derogatory comments, and personal or political attacks
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* Public or private harassment
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* Publishing others' private information, such as a physical or email
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address, without their explicit permission
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* Other conduct which could reasonably be considered inappropriate in a
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professional setting
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## Enforcement Responsibilities
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Community leaders are responsible for clarifying and enforcing our standards of
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acceptable behavior and will take appropriate and fair corrective action in
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response to any behavior that they deem inappropriate, threatening, offensive,
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or harmful.
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Community leaders have the right and responsibility to remove, edit, or reject
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comments, commits, code, wiki edits, issues, and other contributions that are
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not aligned to this Code of Conduct, and will communicate reasons for moderation
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decisions when appropriate.
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## Scope
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This Code of Conduct applies within all community spaces, and also applies when
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an individual is officially representing the community in public spaces.
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Examples of representing our community include using an official e-mail address,
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posting via an official social media account, or acting as an appointed
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representative at an online or offline event.
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## Enforcement
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Instances of abusive, harassing, or otherwise unacceptable behavior may be
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reported to the community leaders responsible for enforcement at
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[email protected].
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All complaints will be reviewed and investigated promptly and fairly.
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All community leaders are obligated to respect the privacy and security of the
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reporter of any incident.
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## Enforcement Guidelines
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Community leaders will follow these Community Impact Guidelines in determining
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the consequences for any action they deem in violation of this Code of Conduct:
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### 1. Correction
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**Community Impact**: Use of inappropriate language or other behavior deemed
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unprofessional or unwelcome in the community.
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**Consequence**: A private, written warning from community leaders, providing
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clarity around the nature of the violation and an explanation of why the
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behavior was inappropriate. A public apology may be requested.
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### 2. Warning
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**Community Impact**: A violation through a single incident or series
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of actions.
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**Consequence**: A warning with consequences for continued behavior. No
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interaction with the people involved, including unsolicited interaction with
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those enforcing the Code of Conduct, for a specified period of time. This
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includes avoiding interactions in community spaces as well as external channels
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like social media. Violating these terms may lead to a temporary or
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permanent ban.
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### 3. Temporary Ban
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**Community Impact**: A serious violation of community standards, including
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sustained inappropriate behavior.
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**Consequence**: A temporary ban from any sort of interaction or public
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communication with the community for a specified period of time. No public or
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private interaction with the people involved, including unsolicited interaction
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with those enforcing the Code of Conduct, is allowed during this period.
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Violating these terms may lead to a permanent ban.
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### 4. Permanent Ban
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**Community Impact**: Demonstrating a pattern of violation of community
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standards, including sustained inappropriate behavior, harassment of an
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individual, or aggression toward or disparagement of classes of individuals.
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**Consequence**: A permanent ban from any sort of public interaction within
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the community.
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## Attribution
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This Code of Conduct is adapted from the [Contributor Covenant][homepage],
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version 2.0, available at
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https://www.contributor-covenant.org/version/2/0/code_of_conduct.html.
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Community Impact Guidelines were inspired by [Mozilla's code of conduct
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enforcement ladder](https://github.com/mozilla/diversity).
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[homepage]: https://www.contributor-covenant.org
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For answers to common questions about this code of conduct, see the FAQ at
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https://www.contributor-covenant.org/faq. Translations are available at
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https://www.contributor-covenant.org/translations.

‎README.rst

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scikit-matter
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=============
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|tests| |codecov| |docs| |pypi| |conda| |docs|
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|tests| |codecov| |pypi| |conda| |docs|
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A collection of scikit-learn compatible utilities that implement methods born out of the
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materials science and chemistry communities.
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.. installation
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For details, tutorials, and examples, please have a look at our `documentation`_.
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.. _`documentation`: https://scikit-matter.readthedocs.io
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.. marker-installation
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Installation
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------------
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You can then `import skmatter` and use scikit-matter in your projects!
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.. contributors
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.. marker-issues
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Having problems or ideas?
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-------------------------
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Having a problem with scikit-matter? Please let us know by `submitting an issue
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<https://github.com/lab-cosmo/scikit-matter/issues>`_.
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Submit new features or bug fixes through a `pull request
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<https://github.com/lab-cosmo/scikit-matter/pulls>`_.
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.. marker-contributing
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Call for Contributions
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----------------------
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We always welcome new contributors. If you want to help us take a look at our
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`contribution guidelines`_ and afterwards you may start with an open issue marked as
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`good first issue`_.
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Writing code is not the only way to contribute to the project. You can also:
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* review `pull requests`_
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* help us stay on top of new and old `issues`_
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* develop `examples and tutorials`_
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* maintain and `improve our documentation`_
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* contribute `new datasets`_
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.. _`contribution guidelines`: https://scikit-matter.readthedocs.io/en/latest/contributing.html
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.. _`good first issue`: https://github.com/lab-cosmo/scikit-matter/issues?q=is%3Aissue+is%3Aopen+label%3A%22good+first+issue%22
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.. _`pull requests`: https://github.com/lab-cosmo/scikit-matter/pulls
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.. _`issues`: https://github.com/lab-cosmo/scikit-matter/issues
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.. _`improve our documentation`: https://scikit-matter.readthedocs.io/en/latest/contributing.html#contributing-to-the-documentation
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.. _`examples and tutorials`: https://scikit-matter.readthedocs.io/en/latest/contributing.html#contributing-new-examples
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.. _`new datasets`: https://scikit-matter.readthedocs.io/en/latest/contributing.html#contributing-datasets
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.. marker-contributors
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Contributors
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------------
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Thanks goes to all people that make scikit-matter possible:
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.. image:: https://contrib.rocks/image?repo=lab-cosmo/scikit-matter
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:target: https://github.com/lab-cosmo/equistore/graphs/contributors
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We always welcome new contributors. If you want to help us take a look at
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our `contribution guidelines`_ and afterwards you may start with an open issue
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marked as `good first issue`_.
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.. _`contribution guidelines`: docs/src/contributing.rst
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.. _`good first issue`: https://github.com/lab-cosmo/scikit-matter/issues?q=is%3Aissue+is%3Aopen+label%3A%22good+first+issue%22
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:target: https://github.com/lab-cosmo/scikit-matter/graphs/contributors
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.. |tests| image:: https://github.com/lab-cosmo/scikit-matter/workflows/Test/badge.svg
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:alt: Github Actions Tests Job Status

‎docs/src/contributing.rst

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Contributing
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============
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Start by installing the development dependencies:
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.. include:: ../../README.rst
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:start-after: marker-contributing
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:end-before: marker-contributors
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Getting started
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---------------
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To help with developing start by installing the development dependencies:
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.. code-block:: bash
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pip install tox black flake8
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pip install tox
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Then this package itself
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Running the tests
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#################
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-----------------
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The testsuite is implemented using Python's `unittest`_ framework and should be set-up
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and run in an isolated virtual environment with `tox`_. All tests can be run with
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.. _tox: https://tox.readthedocs.io/en/latest
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Contributing to the documentation
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#################################
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---------------------------------
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The documentation is written in reStructuredText (rst) and uses `sphinx`_ documentation
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generator. In order to modify the documentation, first create a local version on your
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.. _`sphinx` : https://www.sphinx-doc.org
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Issues and Pull Requests
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########################
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Contributing new examples
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-------------------------
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The examples and tutorials are written as plain Python files and will be converted and
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rendered for the documentation using `Sphinx-Gallery
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<https://sphinx-gallery.github.io/stable/index.html>`.
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Having a problem with scikit-matter? Please let us know by
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`submitting an issue <https://github.com/lab-cosmo/scikit-matter/issues>`_.
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All examples are located in the ``examples`` directory in the root of the repository. To
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contribute a new example create a new ``.py`` file in one of the subdirectories. For
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writing the example/tutorial you can use another file for inspiration. Details on how to
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structure a Python script for Sphinx-Gallery are given in the `Sphinx-Gallery
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documentation <https://sphinx-gallery.github.io/stable/syntax.html>`.
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Submit new features or bug fixes through a `pull request
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<https://github.com/lab-cosmo/scikit-matter/pulls>`_.
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We encourage yoy to at least add one plot to your example to provide a nice image for
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the gallery on the website.
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Contributing Datasets
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#####################
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---------------------
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Have an example dataset that would fit into scikit-matter?
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You're good to go! Time to submit a `pull request.
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<https://github.com/lab-cosmo/scikit-matter/pulls>`_
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License
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#######
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This project is distributed under the BSD-3-Clauses license. By contributing to it you
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agree to distribute your changes under the same license.

‎docs/src/index.rst

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ML datasets, including the comparison, decomposition, and selection of features and
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samples.
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.. include:: ../../README.rst
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:start-after: marker-issues
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:end-before: marker-contributing
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.. toctree::
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:maxdepth: 1
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:caption: Contents:

‎docs/src/installation.rst

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.. include:: ../../README.rst
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:start-after: installation
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:end-before: contributors
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:start-after: marker-installation
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:end-before: marker-issues
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Install from source
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-------------------

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