Orlando Villegas
Jan 2024
ATGraFS-ext (or Automatic Topological Generator for Framework Structure Extended) was released as a module to extend the original AuToGraFS capabilities.
AuToGraFS: Automatic Topological Generator for Framework Structures. Addicoat, M. a, Coupry, D. E., & Heine, T. (2014). The Journal of Physical Chemistry. A, 118(40), 9607–14.
In the setup.py file path run:
pip install .
or
python setup.py install
pip uninstall ATGraFS-ext