https://github.com/unkcpz/aiida-jdftx
aiida plugin for running JDFTx a Joint Density Functional Theory (JDFT)
https://github.com/unkcpz/aiida-jdftx
Last synced: 4 months ago
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aiida plugin for running JDFTx a Joint Density Functional Theory (JDFT)
- Host: GitHub
- URL: https://github.com/unkcpz/aiida-jdftx
- Owner: unkcpz
- License: mit
- Created: 2021-05-25T08:58:51.000Z (about 4 years ago)
- Default Branch: main
- Last Pushed: 2021-06-29T07:24:44.000Z (almost 4 years ago)
- Last Synced: 2024-12-29T09:14:50.722Z (6 months ago)
- Language: Python
- Size: 122 KB
- Stars: 0
- Watchers: 3
- Forks: 0
- Open Issues: 2
-
Metadata Files:
- Readme: README.md
- License: LICENSE
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README
# AiiDA JDFTX
[AiiDA](http://www.aiida.net/) plugin for [JDFTX](https://jdftx.org/index.html).
## Installation
If you use `pip`, you can install it as:
```
pip install aiida-jdftx
```
To install the plugin in an editable mode, run:
```
git clone https://github.com/aiidateam/aiida-jdftx
cd aiida-jdftx
pip install -e . # Also installs aiida, if missing (but not postgres/rabbitmq).
```
## Links
* [Documentation](https://aiida-jdftx.readthedocs.io/en/latest/) for the calculation examples and features of the plugin.
* [Make an issue](https://github.com/aiidateam/aiida-jdftx/issues/new) for bug reports, questions and suggestions.
* [AiiDA](http://www.aiida.net/) to learn about AiiDA.
* [JDFTX](https://jdftx.org/index.html) to learn about JDFTX.
## License
MIT
## Contact
[email protected]