Python Other
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
Permalink
Failed to load latest commit information.
.travis-data bump version number to 0.11.0 Jan 16, 2018
aiida Merge branch 'develop' of github.com:aiidateam/aiida_core into merge_… Jan 16, 2018
bin setup: use setuptools entry_points to create verdi Dec 19, 2016
docs Merge branch 'develop' of github.com:aiidateam/aiida_core into merge_… Jan 16, 2018
examples Replace outdated, broken and duplicated work examples Nov 24, 2017
utils Merge branch 'develop' into feature-plugins Mar 21, 2017
.coveragerc add coveragerc and add generated folder to ignore Sep 20, 2017
.gitignore add coveragerc and add generated folder to ignore Sep 20, 2017
.pre-commit-config.yaml revert unneccessary formatting change Oct 27, 2017
.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
CHANGELOG.md Add deprecation of async to the CHANGELOG.md Jan 15, 2018
LICENSE.txt Small change to LICENSE files. Mar 15, 2017
MANIFEST.in Merge branch 'release_v0.10.0' into release_v0.11.0 Oct 24, 2017
README.rst Fix the urls in the README.rst which used markdown notation Oct 26, 2017
fastentrypoints.py Adding copyright notice to all files. Mar 15, 2017
open_source_licenses.txt Merge develop into feature-plugins Mar 24, 2017
setup.py Add an entrypoint 'aiida.tests' that can be used by plugins to add tests Nov 13, 2017
setup_requirements.py Fix issue 1041 Jan 15, 2018

README.rst

AiiDA

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 http://www.aiida.net

The code is hosted on GitHub at https://github.com/aiidateam/aiida_core

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); http://dx.doi.org/10.1016/j.commatsci.2015.09.013; http://www.aiida.net.

License

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