The AiiDA plugin for ABINIT.
Project description
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
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Hashes for aiida_abinit-0.4.0-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 5ba94b3f08b383b7bebf3c59209f0522b1f07ef3bb22207b861b10ac42ab361d |
|
MD5 | 83973cf80054640d999d3fe72ff05c58 |
|
BLAKE2b-256 | 52b8123f4fbd22c060b1d28231630fa9ec3868b12ee36ed17256e053caafa09d |