def poly(args):
"""
多面体を抽出
出力する総数 num と radii を入力
"""
num = int(args.split()[0])
radii = float(args.split()[1])
coord = Coordinates.from_psc('POSCAR', RANGES)
psc = Poscar.from_file('POSCAR')
vs = VacSearcher(RANGES, 0.2)
vacs = vs.get_vacs(coord.sites_partial, num)
psc.make_poscar_whole(vacs, coord.sites, 'OUTPUTS/POSCAR_whole')
new_vacs = vs.opt_position(coord.sites_partial, vacs)
psc.make_poscar_poly(coord.sites, new_vacs, radii)
def check():
coord = Coordinates.from_psc('POSCAR', RANGES)
psc = Poscar.from_file('POSCAR')
psc.make_poscar_range(
coord.sites, coord.sites_partial, 'OUTPUTS/POSCAR_range')
def status():
coord = Coordinates.from_psc('POSCAR', RANGES)
print(coord)
