def voronoi(ia,aSys):
#=======================================================================
if __name__ == '__main__':
usage= '$ python %prog [options] POSCAR'
parser= optparse.OptionParser(usage=usage)
parser.add_option("-r",dest="rcut",type="float", \
default=5.0, \
help="Cutoff radius in Angstrom. Default is 5.0.")
(options,args)= parser.parse_args()
rcut= options.rcut
infname= args[0]
aSys= AtomSystem()
if not os.path.exists(infname):
print('[Error] File does not exist !!!')
print(infname)
exit()
aSys.read_POSCAR(infname)
#.....make neighbor list
aSys.make_pair_list(rcut)
#.....make Voronoi polygons from Delauney tetrahedra
vrns= []
for ia in range(aSys.num_atoms):
vrn.append(voronoi(ia,aSys))
