AiiDA plugin for the GUDHI library for topological data analysis.
MIT License
AiiDA plugin for the GUDHI library for topological data analysis.
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
Here goes a complete example of how to submit a test calculation using this plugin.
MIT