AiiDA plugin for the GUDHI library for topological data analysis.
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README.md

aiida-gudhi

AiiDA plugin for the GUDHI library for topological data analysis.

Installation

git clone https://github.com/ltalirz/aiida-gudhi .
cd aiida-gudhi
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

Here goes a complete example of how to submit a test calculation using this plugin.

License

MIT

Contact

leopold.talirz@gmail.com