AiiDA plugin for the DDEC code
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aiida_ddec
examples
.gitignore
MANIFEST.in
README.md
setup.json
setup.py

README.md

aiida-coolcode

a ddec plugin for AiiDA

Installation

git clone https://github.com/yakutovicha/aiida-ddec
cd aiida-ddec
pip install -e .  # also installs aiida, if missing (but not postgres)
#pip install -e .[precommit,testing] # install extras for more features
verdi quicksetup  # better to set up a new profile
verdi calculation plugins  # should now show your calclulation plugins

Usage

License

MIT

Contact

aliaksandr.yakutovich@epfl.ch