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AiiDA Tutorials | ||
=============== | ||
AiiDA ABC tutorial | ||
================== | ||
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The official home of AiiDA tutorial materials and videos. | ||
.. _ABC_2021_Homepage: | ||
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.. panels:: | ||
:body: bg-light text-center | ||
.. todo:: | ||
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------ | ||
:column: col-lg-12 pl-0 pr-0 | ||
Update versions to ones from Quantum Mobile image | ||
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.. link-button:: 2020_Intro_Week_Homepage | ||
:type: ref | ||
:text: In-Depth: 2020 Introductory Virtual tutorial | ||
:classes: btn-link btn-block stretched-link | ||
+-----------------+-----------------------------------------------------------------------------------------------------------+ | ||
| Related resources | | ||
+=================+===========================================================================================================+ | ||
| python packages | `aiida-core XXXX`_, `aiida-quantumespresso XXXX`_ | | ||
+-----------------+-----------------------------------------------------------------------------------------------------------+ | ||
| codes | `Quantum ESPRESSO XXXX`_ | | ||
+-----------------+-----------------------------------------------------------------------------------------------------------+ | ||
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------- | ||
:column: col-lg-12 pl-0 pr-0 | ||
.. _Quantum Mobile 20.03.1: https://github.com/marvel-nccr/quantum-mobile/releases/tag/20.03.1 | ||
.. _aiida-core XXXX: https://pypi.org/project/aiida-core/1.4.3/ | ||
.. _aiida-quantumespresso XXXX: https://github.com/aiidateam/aiida-quantumespresso/releases/tag/v3.2.1 | ||
.. _Quantum ESPRESSO XXXX: https://github.com/QEF/q-e/releases/tag/qe-6.0.0 | ||
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:download:`AiiDA Cheat Sheet <cheatsheet/cheatsheet.pdf>` | ||
This is the content of the virtual AiiDA tutorial organised for the University of ABC on the 10th of February 2021. | ||
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------- | ||
:column: col-lg-12 pl-0 pr-0 | ||
:body: + font-weight-bold | ||
Setup | ||
----- | ||
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Short Demonstrations | ||
The tutorial will be run on the |AiiDAlab tutorials cluster|, just click the link and log in with your email address as username and a password of your choosing. | ||
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------- | ||
:column: col-lg-6 col-xs-12 pl-0 pr-0 | ||
.. important:: | ||
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.. link-button:: Ljubljana 2019 Homepage | ||
:type: ref | ||
:text: Quantum ESPRESSO: Ljubljana 2019 tutorial | ||
:classes: btn-link btn-block stretched-link | ||
Note down your password so that you can login again in case you get inadvertently logged out. | ||
In case your forgot your password, either just create a new account (and lose previous progress) or contact one of the administrators to reset your password. | ||
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------- | ||
:column: col-lg-6 col-xs-12 pl-0 pr-0 | ||
It will take a few minutes for your server to start up on first login, after that you are all set and ready to start with the tutorial! | ||
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.. link-button:: Oxford 2020 Homepage | ||
:type: ref | ||
:text: Wannier90: "Virtual Edition" 2020 tutorial | ||
:classes: btn-link btn-block stretched-link | ||
.. todo:: | ||
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Update this link once kubernetes setup is complete. | ||
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Videos | ||
------ | ||
.. |AiiDAlab tutorials cluster| raw:: html | ||
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For some events we have also recorded the lectures, that you can find here. You will also find the | ||
links inside the respective sections. | ||
<a href="https://aiidalab-demo.materialscloud.org/" target="_blank">AiiDAlab tutorials cluster</a> | ||
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.. Without this, the default list is indented more than the toctree list | ||
.. rst-class:: toctree-l1 | ||
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* `2019 tutorial lectures (aiida-core 1.0.0b3) <https://www.youtube.com/playlist?list=PL19kfLn4sO_-QtPaHAA8KByFluT2vvlG0>`_ (`mirror <https://www.bilibili.com/video/av64190843/>`_) | ||
* `2019 plugin migration workshop lectures (aiida-core 1.0.0b2) <https://www.youtube.com/playlist?list=PL19kfLn4sO_9laPkLBdv935PquRxX8dCc>`_ | ||
* `2017 tutorial lectures (aiida-core 0.9.0) <https://www.youtube.com/playlist?list=PL19kfLn4sO_86ruxDP-sxbRXMuOr0VInR>`_ | ||
* `2017 short demo videos (aiida-core 0.8.0) <https://www.youtube.com/playlist?list=PL19kfLn4sO_-XDUeXu5jwUq9k7TId8mM0>`_ | ||
* `2016 tutorial lectures (aiida-core 0.6.0) <https://www.youtube.com/watch?v=qUNYEWClS2U&list=PL19kfLn4sO_86ruxDP-sxbRXMuOr0VInR&index=4>`_ | ||
Hands-on materials | ||
------------------ | ||
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.. toctree:: | ||
:maxdepth: 1 | ||
:caption: Tutorial materials | ||
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2020, BIG-MAP meeting AiiDA tutorial (aiida-core 1.4.3)<./pages/2020_BIGMAP/index> | ||
2020, Introductory workshop Virtual Edition (aiida-core 1.3.0)<./pages/2020_Intro_Week/index> | ||
2020, Wannier workshop Virtual Edition (aiida-core 1.1.1)<./pages/2020_Oxford/index> | ||
2019, ISSP University of Tokyo, Chiba, Japan (aiida-core 1.0.1)<./pages/2019_ISSP_Chiba_Japan/index> | ||
2019, IIT Mandi, Mandi, India (aiida-core 1.0.0b6)<./pages/2019_IIT_Mandi_India/index> | ||
2019, SINTEF, Oslo, Norway (aiida-core 1.0.0b6)<./pages/2019_SINTEF/index> | ||
2019, Jožef Stefan Institute, Ljubljana, Slovenia (aiida-core 1.0.0b6)<./pages/2019_Ljubljana/index> | ||
2019, Xiamen University, Xiamen, China (aiida-core 1.0.0b6)<./pages/2019_Xiamen/index> | ||
2019, EPFL, Lausanne, Switzerland (aiida-core 1.0.0b3)<./pages/2019_MARVEL_Psik_MaX/index> | ||
2019, University of Amsterdam, Amsterdam, Netherlands (aiida-core 0.12.2)<./pages/2019_molsim_school_Amsterdam/index> | ||
2018, Cineca, Bologna, Italy (aiida-core 1.0.0a1)<./pages/2018_PRACE_MaX/index> | ||
2018, EPFL, Lausanne, Switzerland (aiida-core 0.11.4)<./pages/2018_EPFL_molsim/index> | ||
2017, EPFL, Lausanne, Switzerland (aiida-core 0.9.0)<./pages/2017_MARVEL_Psik_MaX/index> | ||
2017, ICTP, Trieste, Italy (aiida-core 0.7.1)<./pages/2017_ICTP/index> | ||
2016, EPFL, Lausanne, Switzerland (aiida-core 0.6.0)<./pages/2016_MARVEL_Psik_MaX/index> | ||
:maxdepth: 2 | ||
:caption: Hands-on sessions | ||
:numbered: | ||
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.. toctree:: | ||
:maxdepth: 1 | ||
:caption: Interactive demos | ||
./source/sections/qe | ||
./source/sections/data | ||
./source/sections/basics | ||
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In-depth tutorial | ||
----------------- | ||
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This tutorial is only a short introduction to AiiDA and its features. | ||
If you want to learn more, you can check the `2020 AiiDA virtual tutorial <https://aiida-tutorials.readthedocs.io/en/tutorial-2020-intro-week/index.html>`_. | ||
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Acknowledgements | ||
---------------- | ||
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.. todo:: | ||
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Update Acknowledgements | ||
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This event was made possible by support from XXXX. | ||
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interactive notebooks, binderized (aiida-core 0.12.3) <https://github.com/aiidateam/aiida_demos> | ||
interactive notebooks (aiida-core 0.10.0) <https://github.com/aiidateam/aiida-max-examples> | ||
.. image:: source/sponsors/max.png | ||
:target: http://www.max-centre.eu/ | ||
:width: 35% |
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