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aiida-siesta

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A plugin for Siesta's basic functionality within the AiiDA framework.

aiidadftsiesta
Versions collected1
Direct dependencies16From release 2.0.0
Last observed21 Oct, 11:01 UTC

README

Version 2.0.0 documentation
AiiDA Siesta plugins and workflows
==================================

A plugin to interface the `Siesta DFT code <https://siesta-project.org/siesta/>`_
to the `AiiDA system <http://www.aiida.net/>`_.

Documentation can be found in:

http://aiida-siesta-plugin.readthedocs.io

If you use this package in your research, please consider citing J. Chem. Phys. **152**, 204108 (2020)
(https://doi.org/10.1063/5.0005077) and the relevant `aiida-core <https://github.com/aiidateam/aiida-core>`_
papers.


Acknowledgements
----------------

This work is supported by the `MaX
European Centre of Excellence <http://www.max-centre.eu/>`_ funded by
the Horizon 2020 INFRAEDI-2018-1 program, Grant No. 824143, by the
`INTERSECT <https://intersect-project.eu/>`_  (Interoperable material-to-device simulation box for
disruptive electronics) project, funded by Horizon 2020 under grant
agreement No 814487, and by the Spanish MINECO (projects
FIS2012-37549-C05-05 and FIS2015-64886-C5-4-P).
We thank the AiiDA team, who are also supported by the
`MARVEL National Centre for Competency in Research <http://nccr-marvel.ch>`_
funded by the `Swiss National Science Foundation <http://www.snf.ch/en>`_

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VersionPublishedDirect dependenciesOpen version
2.0.017 Jul 202216

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siesta-project/aiida_siesta_plugin

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package:e5d0bde718caafa23a7fc4db964a44ec24f910e58164080070a74f6d376775d9