Topological pipelines for porous materials

This is a code to compute topological invariant of nano porous materials

Usage

Subsampling the pore surface

./subsample_pore_surface <.sa file> <accessible surface area> [output .sa filename] [density of sampling]

Create supercell

./create_megacell <cssr file>

Compute distance matrix

./compute_Rips_persistence_periodic_domain <cssr file>