#! /usr/bin/env python
from module.atomic_stream import atomic_make_cumat
import numpy as np
from module.mod_dump import dump_4dc
from module.mod_read import read_4dc
norb = 10
U = 5.0
Up = 3.2
J = 0.9
cumat = atomic_make_cumat(norb, U, Up, J, J, J)
cumat_read = read_4dc(
norb, norb, norb, norb,
'/share/home/pengsy/test/test_rtgw2020/test/LaNiO2/gutz_j17_3/atom_1/solver.cumat.out'
)
hd_dump = dump_4dc(norb, norb, norb, norb, cumat, 'test_LaNiO2_cumat.dat')
print("abs(sum(cumat-cumat_read)) = ",
np.abs(cumat - cumat_read).sum(axis=(0, 1, 2, 3)))
from module.mod_dump import dump_4dc
from module.mod_read import read_4dc
atom1 = Atom.from_incar()
print('atom1:\n', atom1)
print('atom1.norb:\n', atom1.norb)
print('atom1.nmin:\n', atom1.nmin)
print('atom1.nmax:\n', atom1.nmax)
print('atom1.int_type:\n', atom1.int_type)
print('atom1.int_val:\n', atom1.int_val)
print('atom1.soc_type:\n', atom1.soc_type)
print('atom1.soc_val:\n', atom1.soc_val)
print('atom1.cfd_mat:\n', atom1.cfd_mat)
print('atom1.point_group:\n', atom1.point_group)
print('atom1.vpm_type:\n', atom1.vpm_type)
atom1.check_incar()
cumat = atomic_make_cumat(atom1.norb, atom1.int_val['U'], atom1.int_val['Up'],
atom1.int_val['Jz'], atom1.int_val['Js'],
atom1.int_val['Jp'])
#cumat_t = np.zeros((atom1.norb,atom1.norb),dtype=np.complex128)
cumat_t = atomic_tran_cumat(atom1.norb, atom1.amat, cumat)
dump_cumat_t = dump_4dc(atom1.norb, atom1.norb, atom1.norb, atom1.norb,
cumat_t, 'test-tumat.dat')
cumat_old = read_4dc(
atom1.norb, atom1.norb, atom1.norb, atom1.norb,
'/share/home/pengsy/test/test_rtgw2020/test/LaNiO2/gutz_j17_3/atom_1/solver.tumat.out'
)
print("abs(sum(cumat-cumat_old)) = ",
np.abs(cumat_t - cumat_old).sum(axis=(0, 1, 2, 3)))