GitHub - aiidateam/aiida_core: The official repository for the AiiDA code
source link: https://github.com/aiidateam/aiida_core
Go to the source link to view the article. You can view the picture content, updated content and better typesetting reading experience. If the link is broken, please click the button below to view the snapshot at that time.
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.
Recommend
About Joyk
Aggregate valuable and interesting links.
Joyk means Joy of geeK