AiiDA plugin for persistence homology tools, used to analyze nanoporous materials.
Project description
aiida-phtools
AiiDA plugin for persistence homology tools, used to analyze nanoporous materials.
Installation
git clone https://github.com/ltalirz/aiida-phtools .
cd aiida-phtools
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
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