Skip to main content

The official AiiDA plugin for CP2K.

Project description

Build Status Coverage Status PyPI version Documentation Status

AiiDA CP2K

AiiDA plugin for CP2K.

Installation

If you use pip, you can install it as:

pip install aiida-cp2k

To install the plugin in an editable mode, run:

git clone https://github.com/aiidateam/aiida-cp2k
cd aiida-cp2k
pip install -e .  # Also installs aiida, if missing (but not postgres/rabbitmq).

Links

  • Documentation for the calculation examples and features of the plugin.
  • Make an issue for bug reports, questions and suggestions.
  • AiiDA to learn about AiiDA.
  • Cp2k to learn about CP2K.

License

MIT

Contact

yakutovicha@gmail.com

Acknowledgements

This work is supported by:

MARVEL MaX swissuniversities

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Files for aiida-cp2k, version 1.1.0
Filename, size File type Python version Upload date Hashes
Filename, size aiida_cp2k-1.1.0.tar.gz (17.9 kB) File type Source Python version None Upload date Hashes View

Supported by

Pingdom Pingdom Monitoring Google Google Object Storage and Download Analytics Sentry Sentry Error logging AWS AWS Cloud computing DataDog DataDog Monitoring Fastly Fastly CDN DigiCert DigiCert EV certificate StatusPage StatusPage Status page