import numpy as np
from maptool.core.analysis import rdf
from dpdata import System
ls = System('dump_npt_470.atom', fmt='lammps/dump', type_map=['Li'])
sls = ls.sub_system(range(int(0.5 * len(ls)), len(ls)))
pmg_sts = sls.to_pymatgen_structure()
d = [st.density for st in pmg_sts]
print(np.std(d))
print(np.mean(d))
rdf, radii = rdf(pmg_sts, 10, 200, (0, 10))
ret = np.vstack((radii, rdf)).T
print(ret.shape)
np.savetxt('rn.txt', ret)
import numpy as np
from maptool.core.analysis import rdf
from dpdata import System
ls = System('dump_nvt_470.atom', fmt='lammps/dump', type_map=['Li'])
sls = ls.sub_system(range(1000, len(ls)))
pmg_sts = sls.to_pymatgen_structure()
d = [st.density for st in pmg_sts]
print(np.mean(d))