generate_clusters_super_cell.py

# -*- coding: utf-8 -*-


'''
Save json files of clusters 
'''

from set_ce_lattice import mother, cell, sitetype, dz, NN_distances
from set_config_constants import config, Ec
import lattice_functions as lf
import pbc_functions as pbc

'''   
Set cutoff distance
'''
cutoff_at_NN = 10
cutoff_distance = NN_distances[cutoff_at_NN]
#%%
'''
Create Clusters in graphs in super mother unit cell 2 by 2
'''
extend_rate  = 2 
super_mother, super_cell, super_sitetype = pbc.super_unit_cell(mother, cell, sitetype, extend_rate)


# if __name__ == "__main__":# Initialize subgraph object
    
#     sub = lf.subgraphs(super_mother, dz)
    
#     # Generate cluster upto 3 body interactions by default 
#     # and save clusters into a json file
#     sub.generate_clusters(cutoff_distance)