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Latest commit ec93d99 Jan 16, 2018 @ltalirz ltalirz Merge pull request #1052 from aiidateam/merge_v0.11.0_into_develop
Merge v0.11.0 into develop
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.travis-data bump version number to 0.11.0 Jan 16, 2018
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bin setup: use setuptools entry_points to create verdi Dec 19, 2016
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.coveragerc add coveragerc and add generated folder to ignore Sep 20, 2017
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.prospector.yaml refactor db management methods into module Sep 20, 2017
.pylintrc add copy_db to postgres Oct 19, 2017
.style.yapf postgres: complete unittests, use in profile cmd Sep 20, 2017
.travis.yml Error in the bash script ('done' instead of 'fi') Oct 27, 2017
AUTHORS.txt bump version number to 0.11.0 Jan 16, 2018 Add deprecation of async to the Jan 15, 2018
LICENSE.txt Small change to LICENSE files. Mar 15, 2017 Merge branch 'release_v0.10.0' into release_v0.11.0 Oct 24, 2017
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open_source_licenses.txt Merge develop into feature-plugins Mar 24, 2017 Add an entrypoint 'aiida.tests' that can be used by plugins to add tests Nov 13, 2017 Fix issue 1041 Jan 15, 2018



Automated Interactive Infrastructure and Database for Computational Science

AiiDA is a sophisticated framework designed from scratch to be a flexible and scalable infrastructure for computational science. Being able to store the full data provenance of each simulation, and based on a tailored database solution built for efficient data mining implementations, AiiDA gives the user the ability to interact seamlessly with any number of HPC machines and codes thanks to its flexible plugin interface, together with a powerful workflow engine for the automation of simulations.

The official homepage is at

The code is hosted on GitHub at

The documentation is hosted on Read The Docs at:

Which branch should you use?

  • Users: the stable version of the code is in the master branch
  • Developers: the procedure to contribute through pull-requests can be found in the wiki

How to cite AiiDA

If you use AiiDA in your research, please consider citing the following work:

Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, and Boris Kozinsky, AiiDA: automated interactive infrastructure and database for computational science, Comp. Mat. Sci 111, 218-230 (2016);;


The terms of the AiiDA license can be found in the LICENSE.txt file.