| Name | aiida-abinit JSON |
| Version |
0.5.0
JSON |
| download |
| home_page | None |
| Summary | The AiiDA plugin for ABINIT. |
| upload_time | 2023-10-04 12:02:08 |
| maintainer | None |
| docs_url | None |
| author | None |
| requires_python | >=3.8 |
| license | None |
| keywords |
aiida
abinit
|
| VCS |
 |
| bugtrack_url |
|
| requirements |
No requirements were recorded.
|
| Travis-CI |
No Travis.
|
| coveralls test coverage |
No coveralls.
|
# `aiida-abinit`
[](https://badge.fury.io/py/aiida-abinit)
[](https://github.com/sponce24/aiida-abinit/actions)
This is an [AiiDA](http://www.aiida.net/) plugin for [ABINIT](https://www.abinit.org/).
## Installation
To install from PyPI, simply execute:
pip install aiida-abinit
To install from source, execute:
git clone https://github.com/sponce24/aiida-abinit
pip install aiida-abinit
## Pseudopotentials
Pseudopotentials are installed and managed through the [`aiida-pseudo` plugin](https://pypi.org/project/aiida-pseudo/).
The easiest way to install pseudopotentials is to install a version of the [PseudoDojo](http://www.pseudo-dojo.org/) through the CLI of `aiida-pseudo`.
To install the default PseudoDojo version, run:
aiida-pseudo install pseudo-dojo
List the installed pseudopotential families with the command `aiida-pseudo list`.
## Acknowledgements
This work was supported by the the European Unions Horizon 2020 Research and Innovation Programme,
under the [Marie Skłodowska-Curie Grant Agreement SELPH2D No. 839217](https://cordis.europa.eu/project/id/839217).
## License
MIT
## Contact
`aiida-abinit` is developed and maintained by
* [Samuel Poncé](https://www.samuelponce.com/) - samuel.pon@gmail.com
* [Guido Petretto](https://uclouvain.be/fr/repertoires/guido.petretto)
* [Austin Zadoks](https://people.epfl.ch/austin.zadoks/?lang=en) - austin.zadoks@epfl.ch
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"description": "# `aiida-abinit`\n[](https://badge.fury.io/py/aiida-abinit)\n[](https://github.com/sponce24/aiida-abinit/actions)\n\n\nThis is an [AiiDA](http://www.aiida.net/) plugin for [ABINIT](https://www.abinit.org/).\n\n## Installation\nTo install from PyPI, simply execute:\n\n pip install aiida-abinit\n\nTo install from source, execute:\n\n git clone https://github.com/sponce24/aiida-abinit\n pip install aiida-abinit\n\n## Pseudopotentials\nPseudopotentials are installed and managed through the [`aiida-pseudo` plugin](https://pypi.org/project/aiida-pseudo/).\nThe easiest way to install pseudopotentials is to install a version of the [PseudoDojo](http://www.pseudo-dojo.org/) through the CLI of `aiida-pseudo`.\nTo install the default PseudoDojo version, run:\n\n aiida-pseudo install pseudo-dojo\n\nList the installed pseudopotential families with the command `aiida-pseudo list`.\n\n## Acknowledgements\n\nThis work was supported by the the European Unions Horizon 2020 Research and Innovation Programme,\nunder the [Marie Sk\u0142odowska-Curie Grant Agreement SELPH2D No. 839217](https://cordis.europa.eu/project/id/839217).\n\n\n\n## License\n\nMIT\n\n## Contact\n\n`aiida-abinit` is developed and maintained by\n\n* [Samuel Ponc\u00e9](https://www.samuelponce.com/) - samuel.pon@gmail.com\n* [Guido Petretto](https://uclouvain.be/fr/repertoires/guido.petretto)\n* [Austin Zadoks](https://people.epfl.ch/austin.zadoks/?lang=en) - austin.zadoks@epfl.ch\n",
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