jarvis.io.zeopp.inputs

Module to run zeo++ package.

Module Contents

Functions

get_porosity(atoms=None, network_cmd='./network', output_file=None)

Gete pore diameters using zeo++.

get_surface_area(atoms=None, network_cmd='/home/knc6/Software/zeopp/zeo++-0.3/network', probe_radius=1.2, chan_radius=None, num_samples=2000, output_file=None, prefix='ja_atoms')

Gete surface area using zeo++.

jarvis.io.zeopp.inputs.get_porosity(atoms=None, network_cmd='./network', output_file=None)[source]

Gete pore diameters using zeo++.

jarvis.io.zeopp.inputs.get_surface_area(atoms=None, network_cmd='/home/knc6/Software/zeopp/zeo++-0.3/network', probe_radius=1.2, chan_radius=None, num_samples=2000, output_file=None, prefix='ja_atoms')[source]

Gete surface area using zeo++.