aiida-abinit
This is an AiiDA plugin for ABINIT.
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.
The easiest way to install pseudopotentials is to install a version of the PseudoDojo 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.
License
MIT
Contact
aiida-abinit is developed and maintained by
Release files for aiida-abinit 0.5.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| aiida_abinit-0.5.0.tar.gz | 20.4 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| aiida_abinit-0.5.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 39.0 kB
Release files / aiida_abinit-0.5.0.tar.gz
| Download URL | aiida_abinit-0.5.0.tar.gz |
|---|---|
| Size | 20.4 kB |
| Tags | Source |
|
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Release files / aiida_abinit-0.5.0-py3-none-any.whl
| Download URL | aiida_abinit-0.5.0-py3-none-any.whl |
|---|---|
| Size | 18.7 kB |
| Tags | Python 3 |
|
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