test_zero_hint.py

# %%
import numpy as np
import pytest

from pymf.model import Model
from pymf.solvers import solver
from pymf.tb import utils
from pymf.tb.tb import add_tb, compare_dicts

# %%
cutoff = np.random.randint(1, 4)
dim = np.random.randint(0, 3)
ndof = np.random.randint(2, 10)
filling = np.random.randint(1, ndof)
random_hopping_vecs = utils.generate_vectors(cutoff, dim)
zero_key = tuple([0] * dim)
repeat_number = 10


# %%
@pytest.mark.parametrize("seed", range(repeat_number))
def test_zero_hint(seed):
    """Test the zero interaction case for the tight-binding model."""
    np.random.seed(seed)
    h_0_random = utils.generate_guess(random_hopping_vecs, ndof, scale=1)
    h_int_only_phases = utils.generate_guess(random_hopping_vecs, ndof, scale=0)
    guess = utils.generate_guess(random_hopping_vecs, ndof, scale=1)
    model = Model(h_0_random, h_int_only_phases, filling=filling)

    mf_sol = solver(model, guess, nk=20)
    h_fermi = utils.calculate_fermi_energy(mf_sol, filling=filling, nk=20)
    mf_sol[zero_key] -= h_fermi * np.eye(mf_sol[zero_key].shape[0])

    compare_dicts(add_tb(mf_sol, h_0_random), h_0_random, atol=1e-10)