I am currently working with metal-organic frameworks (MOFs) and am seeking assistance with calculating specific geometric features using zeo++. The features I am interested in are pore limiting diameter, large cavity diameter, gravimetric surface area, and volumetric surface area.
I understand that pymatgen offers an interface with zeo++. Could you please guide me on how to utilize pymatgen for this purpose? Specifically, I am looking for instructions or examples of code to calculate these geometric features of MOFs using the pymatgen-zeo++ integration.
In case pymatgen is not feasible for this application, could you also provide the necessary commands or procedures for directly calculating these features in zeo++?