aiida-core

No project description provided

These details have not been verified by PyPI

Project links

Homepage

Project description

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:

(stable version) http://aiida-core.readthedocs.io/en/stable
(develop version) http://aiida-core.readthedocs.io/en/latest

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.

Project details

These details have not been verified by PyPI

Project links

Homepage

Release history Release notifications | RSS feed

2.6.3

Nov 6, 2024

2.6.2

Aug 7, 2024

2.6.1

Jul 1, 2024

2.6.0

Jul 1, 2024

2.5.2

Jun 6, 2024

2.5.1

Jan 31, 2024

2.5.0

Dec 20, 2023

2.4.3

Jan 17, 2024

2.4.2

Nov 30, 2023

2.4.1

Nov 15, 2023

2.4.0

Jun 23, 2023

2.3.1

May 22, 2023

2.3.0

Apr 17, 2023

2.2.2

Feb 10, 2023

2.2.1

Dec 22, 2022

2.2.0

Dec 13, 2022

2.1.2

Nov 14, 2022

2.1.1

Nov 10, 2022

2.1.0

Nov 7, 2022

2.0.4

Sep 23, 2022

2.0.3

Aug 9, 2022

2.0.2

Jul 13, 2022

2.0.1

Apr 28, 2022

2.0.0

Apr 27, 2022

2.0.0b1 pre-release

Mar 16, 2022

1.6.9

Aug 3, 2022

1.6.8

Mar 25, 2022

1.6.7

Mar 7, 2022

1.6.6

Mar 7, 2022

1.6.5

Aug 13, 2021

1.6.4

Jun 23, 2021

1.6.3

Apr 28, 2021

1.6.2 yanked

Apr 27, 2021

Reason this release was yanked:

This release contains a critical bug that has been fixed in v1.6.3.

1.6.1

Mar 31, 2021

1.6.0

Mar 18, 2021

1.5.3

Aug 13, 2021

1.5.2

Dec 8, 2020

1.5.0

Nov 13, 2020

1.4.4

Dec 7, 2020

1.4.3

Nov 6, 2020

1.4.2

Oct 4, 2020

1.4.1

Sep 28, 2020

1.4.0

Sep 24, 2020

1.3.1

Aug 27, 2020

1.3.0

Jul 1, 2020

1.2.1

Apr 22, 2020

1.2.0

Apr 15, 2020

1.1.1

Mar 3, 2020

1.1.0

Feb 12, 2020

1.0.1

Dec 2, 2019

1.0.0

Oct 31, 2019

1.0.0b6 pre-release

Aug 29, 2019

1.0.0b5 pre-release

Jul 16, 2019

1.0.0b4 pre-release

Jun 24, 2019

1.0.0b3 pre-release

May 15, 2019

1.0.0b2 pre-release

Apr 10, 2019

1.0.0b1 pre-release

Mar 12, 2019

1.0.0a4 pre-release

Nov 5, 2018

1.0.0a3 pre-release

Oct 17, 2018

1.0.0a2 pre-release

Jul 13, 2018

1.0.0a1 pre-release

Jun 6, 2018

0.12.5

Jun 8, 2020

0.12.4

Jul 30, 2019

0.12.3

Mar 2, 2019

0.12.2

Aug 30, 2018

0.12.1

Jun 18, 2018

0.12.0

May 2, 2018

0.11.4

Apr 3, 2018

0.11.3

Mar 28, 2018

0.11.2

Mar 14, 2018

0.11.1

Mar 12, 2018

0.11.0

Jan 16, 2018

0.10.1

Dec 22, 2017

0.10.0

Nov 20, 2017

0.10.0rc3 pre-release

Nov 15, 2017

0.10.0rc2 pre-release

Oct 27, 2017

0.10.0rc1 pre-release

Oct 25, 2017

0.9.1

Sep 2, 2017

This version

0.9.0

Jun 15, 2017

0.8.1

May 19, 2017

0.8.0

Apr 24, 2017

0.8.0rc2 pre-release

Mar 24, 2017

0.8.0rc1 pre-release

Mar 22, 2017

0.7.1.1

Apr 15, 2019

0.7.0.1

Apr 15, 2019

0.6.0.1

Apr 15, 2019

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

aiida-core-0.9.0.tar.gz (24.9 MB view details)

Uploaded Jun 15, 2017 Source

Built Distribution

aiida_core-0.9.0-py2-none-any.whl (25.9 MB view details)

Uploaded Jun 15, 2017 Python 2

File details

Details for the file aiida-core-0.9.0.tar.gz.

File metadata

Download URL: aiida-core-0.9.0.tar.gz
Upload date: Jun 15, 2017
Size: 24.9 MB
Tags: Source
Uploaded using Trusted Publishing? No

File hashes

Hashes for aiida-core-0.9.0.tar.gz
Algorithm	Hash digest
SHA256	`d43acc3138ffe6fa9592f35e79cf7e0ad152522e5881e0e48c8fdde06741edba`
MD5	`ffb81bf470fc64e8d27b21183579be52`
BLAKE2b-256	`edc8c4a4934d9359f5d4c296df35eb50cc751f85fea8e5048a2a5002af33cbfd`

See more details on using hashes here.

File details

Details for the file aiida_core-0.9.0-py2-none-any.whl.

File metadata

Download URL: aiida_core-0.9.0-py2-none-any.whl
Upload date: Jun 15, 2017
Size: 25.9 MB
Tags: Python 2
Uploaded using Trusted Publishing? No

File hashes

Hashes for aiida_core-0.9.0-py2-none-any.whl
Algorithm	Hash digest
SHA256	`71583989bbf47d0c56a525cb51572f3a01d95336d480325cf590854687b2490f`
MD5	`3a8747f4b19e94878ed657573f29ab67`
BLAKE2b-256	`93f69f40c95943a5fefb47764ee9e67accb6fa8b5385aade8576ba669d09ec65`