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37 changes: 37 additions & 0 deletions _sources/guide.rst.txt
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Instructor's guide
==================

Why we teach this lesson
------------------------



Intended learning outcomes
--------------------------



Timing
------



Preparing exercises
-------------------

e.g. what to do the day before to set up common repositories.



Other practical aspects
-----------------------



Interesting questions you might get
-----------------------------------



Typical pitfalls
----------------
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EMTO best practices workshop
============================

.. prereq::

In case people would like to do some practices during the workshop with the installed emto excutables
you need to have access to one of these resource:

- Leonardo booster (CINECA, Italy).
- Tetralith (NSC, NAISS, Sweden).

All documented commands for the practices are tested on these clusters.

.. toctree::
:maxdepth: 1
:caption: The lesson


.. toctree::
:maxdepth: 1
:caption: Reference

.. _learner-personas:

Who is the course for?
----------------------

This course is for students, researchers, engineers who would like to get started with EMTO code using a HPC resource.
Basic knowledge of electronic structure theory and/or DFT calculations and using Linux will be required.

Schedule
--------

.. list-table::
:widths: 25 50
:header-rows: 1

* - Time
- Content
* - 10:00-10:30
- Introduction to ENCCS
* - 10:30-12:00
- EMTO lectures
* - 12:00-13:00
- Lunch break
* - 13:00-15:00
- Hands-on session (guided)
* - 15:00-17:00
- Hands-on session


About the course
----------------


See also
--------

- EMTO `website <emto.gitlab.io>`_
- EMTO `Manual <https://emto.gitlab.io/manual/manual.html>`_
- Book by Prof. Levente Vitos: `Computational Quantum Mechanics for Materials Engineers <https://link.springer.com/book/10.1007/978-1-84628-951-4>`_

Credits
-------

The lesson file structure and browsing layout is inspired by and derived from
`work <https://github.com/coderefinery/sphinx-lesson>`__ by `CodeRefinery
<https://coderefinery.org/>`__ licensed under the `MIT license
<http://opensource.org/licenses/mit-license.html>`__. We have copied and adapted
most of their license text.

Use of EMTO code should follow the EMTO **license** `link <https://emto.gitlab.io/license.html>`_:

* **NO WARRANTY**: We are not responsible for any damage, defect or loss incurred as a result of operating the software.
* Only **non-commercial** use allowed.
* **CANNOT** redistribute source-code or its executable binaries.
* Can modify source-code but **CANNOT** redistribute modifications (derivative works, include its executable binaries).
* Parts of the software are provided under separate licenses, as follows:

* BLAS routines under the BLAS License (http://www.netlib.org/blas/#_licensing)
* LAPACK routines under the modified BSD license (http://www.netlib.org/lapack/LICENSE.txt)

Instructional Material
^^^^^^^^^^^^^^^^^^^^^^

This instructional material is made available under the
`Creative Commons Attribution license (CC-BY-4.0) <https://creativecommons.org/licenses/by/4.0/>`__.
The following is a human-readable summary of (and not a substitute for) the
`full legal text of the CC-BY-4.0 license
<https://creativecommons.org/licenses/by/4.0/legalcode>`__.
You are free to:

- **share** - copy and redistribute the material in any medium or format
- **adapt** - remix, transform, and build upon the material for any purpose,
even commercially.

The licensor cannot revoke these freedoms as long as you follow these license terms:

- **Attribution** - You must give appropriate credit (mentioning that your work
is derived from work that is Copyright (c) ENCCS and individual contributors and, where practical, linking
to `<https://enccs.github.io/sphinx-lesson-template>`_), provide a `link to the license
<https://creativecommons.org/licenses/by/4.0/>`__, and indicate if changes were
made. You may do so in any reasonable manner, but not in any way that suggests
the licensor endorses you or your use.
- **No additional restrictions** - You may not apply legal terms or
technological measures that legally restrict others from doing anything the
license permits.

With the understanding that:

- You do not have to comply with the license for elements of the material in
the public domain or where your use is permitted by an applicable exception
or limitation.
- No warranties are given. The license may not give you all of the permissions
necessary for your intended use. For example, other rights such as
publicity, privacy, or moral rights may limit how you use the material.


Software
^^^^^^^^

Except where otherwise noted, the example programs and other software provided
with this repository are made available under the `OSI <http://opensource.org/>`__-approved
`MIT license <https://opensource.org/licenses/mit-license.html>`__.
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Quick Reference
===============
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