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AiiDA Tutorials | ||
=============== | ||
+-----------------+-------------------------------------------------------------------+ | ||
| Related resources | | ||
+=================+===================================================================+ | ||
| Virtual Machine | `Quantum Mobile 18.04.0-tutorial`_ (`installation instructions`_) | | ||
+-----------------+-------------------------------------------------------------------+ | ||
| python packages | `aiida-core 1.0.0a1`_, `aiida-quantumespresso 3.0.0a1`_ | | ||
+-----------------+-------------------------------------------------------------------+ | ||
| codes | `Quantum Espresso 6.2.1`_ | | ||
+-----------------+-------------------------------------------------------------------+ | ||
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The official home of AiiDA tutorial materials and videos. | ||
.. _Quantum Mobile 18.04.0-tutorial: https://object.cscs.ch/v1/AUTH_b1d80408b3d340db9f03d373bbde5c1e/marvel-vms/quantum_mobile_aiida_tutorial_May_2018.ova | ||
.. _installation instructions: https://object.cscs.ch/v1/AUTH_b1d80408b3d340db9f03d373bbde5c1e/marvel-vms/INSTALL_aiida_tutorial_May_2018.txt | ||
.. _aiida-core 1.0.0a1: https://github.com/aiidateam/aiida_core/releases/tag/v1.0.0a1 | ||
.. _aiida-quantumespresso 3.0.0a1: https://github.com/aiidateam/aiida-quantumespresso/releases/tag/v3.0.0a1 | ||
.. _Quantum Espresso 6.2.1: https://github.com/QEF/q-e/releases/tag/qe-6.2.1 | ||
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.. panels:: | ||
:body: bg-light text-center | ||
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------ | ||
:column: col-lg-12 pl-0 pr-0 | ||
PRACE-MaX tutorial on high-throughput computations | ||
================================================== | ||
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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 | ||
The `PRACE-MaX Tutorial on high-throughput computations: general methods | ||
and applications using AiiDA <https://events.prace-ri.eu/event/709/>`__ | ||
was held from May 30th to June 1st, 2018 at the Cineca HPC facility in | ||
Bologna, Italy. | ||
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------- | ||
:column: col-lg-12 pl-0 pr-0 | ||
The instructions below have been converted from the `original LaTeX source | ||
<https://github.com/aiidateam/aiida-tutorials-latex>`__. | ||
See also the `original PDF <https://object.cscs.ch/v1/AUTH_b1d80408b3d340db9f03d373bbde5c1e/marvel-vms/aiida_tutorial_2018_05_text.pdf>`_. | ||
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:download:`AiiDA Cheat Sheet <cheatsheet/cheatsheet.pdf>` | ||
.. seealso:: | ||
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------- | ||
:column: col-lg-12 pl-0 pr-0 | ||
:body: + font-weight-bold | ||
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Short Demonstrations | ||
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------- | ||
:column: col-lg-6 col-xs-12 pl-0 pr-0 | ||
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.. link-button:: Ljubljana 2019 Homepage | ||
:type: ref | ||
:text: Quantum ESPRESSO: Ljubljana 2019 tutorial | ||
:classes: btn-link btn-block stretched-link | ||
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------- | ||
:column: col-lg-6 col-xs-12 pl-0 pr-0 | ||
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.. link-button:: Oxford 2020 Homepage | ||
:type: ref | ||
:text: Wannier90: "Virtual Edition" 2020 tutorial | ||
:classes: btn-link btn-block stretched-link | ||
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Videos | ||
------ | ||
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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. | ||
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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>`_ | ||
:download:`The AiiDA Cheat Sheet <cheatsheet/cheatsheet.pdf>` | ||
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.. toctree:: | ||
:maxdepth: 1 | ||
:caption: Tutorial materials | ||
:caption: Sections | ||
:numbered: | ||
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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> | ||
Preliminaries <./pages/2018_PRACE_MaX/sections/preliminaries> | ||
./pages/2018_PRACE_MaX/sections/verdi_cmdline | ||
./pages/2018_PRACE_MaX/sections/verdi_shell | ||
./pages/2018_PRACE_MaX/sections/calculations | ||
./pages/2018_PRACE_MaX/sections/querybuilder | ||
./pages/2018_PRACE_MaX/sections/workflows | ||
./pages/2018_PRACE_MaX/sections/bands | ||
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.. toctree:: | ||
:maxdepth: 1 | ||
:caption: Interactive demos | ||
:caption: Appendices | ||
:numbered: | ||
|
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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> | ||
./pages/2018_PRACE_MaX/sections/appendix_input_validation | ||
./pages/2018_PRACE_MaX/sections/appendix_restarting_calculations | ||
./pages/2018_PRACE_MaX/sections/appendix_queries | ||
./pages/2018_PRACE_MaX/sections/appendix_workflow_logic |
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