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add non-edge-case test
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@bartandrews
bartandrews committed Apr 24, 2024
1 parent 89325f0 commit 379e321
Showing 1 changed file with 203 additions and 16 deletions.
219 changes: 203 additions & 16 deletions tests/python/operators/fermi_hubbard_test.py
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Original file line number Diff line number Diff line change
Expand Up @@ -197,6 +197,193 @@ def test_fermi_hubbard_2d():

# periodic boundary conditions
op_periodic = fermi_hubbard_2d(
norb_x=3,
norb_y=3,
tunneling=1,
interaction=2,
chemical_potential=3,
nearest_neighbor_interaction=4,
periodic=True,
)
np.testing.assert_equal(
dict(op_periodic),
{
(cre_a(0), des_a(3)): -1,
(cre_b(0), des_b(3)): -1,
(cre_a(3), des_a(0)): -1,
(cre_b(3), des_b(0)): -1,
(cre_a(0), des_a(1)): -1,
(cre_b(0), des_b(1)): -1,
(cre_a(1), des_a(0)): -1,
(cre_b(1), des_b(0)): -1,
(cre_a(1), des_a(4)): -1,
(cre_b(1), des_b(4)): -1,
(cre_a(4), des_a(1)): -1,
(cre_b(4), des_b(1)): -1,
(cre_a(1), des_a(2)): -1,
(cre_b(1), des_b(2)): -1,
(cre_a(2), des_a(1)): -1,
(cre_b(2), des_b(1)): -1,
(cre_a(2), des_a(5)): -1,
(cre_b(2), des_b(5)): -1,
(cre_a(5), des_a(2)): -1,
(cre_b(5), des_b(2)): -1,
(cre_a(2), des_a(0)): -1,
(cre_b(2), des_b(0)): -1,
(cre_a(0), des_a(2)): -1,
(cre_b(0), des_b(2)): -1,
(cre_a(3), des_a(6)): -1,
(cre_b(3), des_b(6)): -1,
(cre_a(6), des_a(3)): -1,
(cre_b(6), des_b(3)): -1,
(cre_a(3), des_a(4)): -1,
(cre_b(3), des_b(4)): -1,
(cre_a(4), des_a(3)): -1,
(cre_b(4), des_b(3)): -1,
(cre_a(4), des_a(7)): -1,
(cre_b(4), des_b(7)): -1,
(cre_a(7), des_a(4)): -1,
(cre_b(7), des_b(4)): -1,
(cre_a(4), des_a(5)): -1,
(cre_b(4), des_b(5)): -1,
(cre_a(5), des_a(4)): -1,
(cre_b(5), des_b(4)): -1,
(cre_a(5), des_a(8)): -1,
(cre_b(5), des_b(8)): -1,
(cre_a(8), des_a(5)): -1,
(cre_b(8), des_b(5)): -1,
(cre_a(5), des_a(3)): -1,
(cre_b(5), des_b(3)): -1,
(cre_a(3), des_a(5)): -1,
(cre_b(3), des_b(5)): -1,
(cre_a(6), des_a(0)): -1,
(cre_b(6), des_b(0)): -1,
(cre_a(0), des_a(6)): -1,
(cre_b(0), des_b(6)): -1,
(cre_a(6), des_a(7)): -1,
(cre_b(6), des_b(7)): -1,
(cre_a(7), des_a(6)): -1,
(cre_b(7), des_b(6)): -1,
(cre_a(7), des_a(1)): -1,
(cre_b(7), des_b(1)): -1,
(cre_a(1), des_a(7)): -1,
(cre_b(1), des_b(7)): -1,
(cre_a(7), des_a(8)): -1,
(cre_b(7), des_b(8)): -1,
(cre_a(8), des_a(7)): -1,
(cre_b(8), des_b(7)): -1,
(cre_a(8), des_a(2)): -1,
(cre_b(8), des_b(2)): -1,
(cre_a(2), des_a(8)): -1,
(cre_b(2), des_b(8)): -1,
(cre_a(8), des_a(6)): -1,
(cre_b(8), des_b(6)): -1,
(cre_a(6), des_a(8)): -1,
(cre_b(6), des_b(8)): -1,
(cre_a(0), des_a(0), cre_b(0), des_b(0)): 2,
(cre_a(1), des_a(1), cre_b(1), des_b(1)): 2,
(cre_a(2), des_a(2), cre_b(2), des_b(2)): 2,
(cre_a(3), des_a(3), cre_b(3), des_b(3)): 2,
(cre_a(4), des_a(4), cre_b(4), des_b(4)): 2,
(cre_a(5), des_a(5), cre_b(5), des_b(5)): 2,
(cre_a(6), des_a(6), cre_b(6), des_b(6)): 2,
(cre_a(7), des_a(7), cre_b(7), des_b(7)): 2,
(cre_a(8), des_a(8), cre_b(8), des_b(8)): 2,
(cre_a(0), des_a(0)): -3,
(cre_b(0), des_b(0)): -3,
(cre_a(1), des_a(1)): -3,
(cre_b(1), des_b(1)): -3,
(cre_a(2), des_a(2)): -3,
(cre_b(2), des_b(2)): -3,
(cre_a(3), des_a(3)): -3,
(cre_b(3), des_b(3)): -3,
(cre_a(4), des_a(4)): -3,
(cre_b(4), des_b(4)): -3,
(cre_a(5), des_a(5)): -3,
(cre_b(5), des_b(5)): -3,
(cre_a(6), des_a(6)): -3,
(cre_b(6), des_b(6)): -3,
(cre_a(7), des_a(7)): -3,
(cre_b(7), des_b(7)): -3,
(cre_a(8), des_a(8)): -3,
(cre_b(8), des_b(8)): -3,
(cre_a(0), des_a(0), cre_a(3), des_a(3)): 4,
(cre_a(0), des_a(0), cre_b(3), des_b(3)): 4,
(cre_b(0), des_b(0), cre_a(3), des_a(3)): 4,
(cre_b(0), des_b(0), cre_b(3), des_b(3)): 4,
(cre_a(0), des_a(0), cre_a(1), des_a(1)): 4,
(cre_a(0), des_a(0), cre_b(1), des_b(1)): 4,
(cre_b(0), des_b(0), cre_a(1), des_a(1)): 4,
(cre_b(0), des_b(0), cre_b(1), des_b(1)): 4,
(cre_a(1), des_a(1), cre_a(4), des_a(4)): 4,
(cre_a(1), des_a(1), cre_b(4), des_b(4)): 4,
(cre_b(1), des_b(1), cre_a(4), des_a(4)): 4,
(cre_b(1), des_b(1), cre_b(4), des_b(4)): 4,
(cre_a(1), des_a(1), cre_a(2), des_a(2)): 4,
(cre_a(1), des_a(1), cre_b(2), des_b(2)): 4,
(cre_b(1), des_b(1), cre_a(2), des_a(2)): 4,
(cre_b(1), des_b(1), cre_b(2), des_b(2)): 4,
(cre_a(2), des_a(2), cre_a(5), des_a(5)): 4,
(cre_a(2), des_a(2), cre_b(5), des_b(5)): 4,
(cre_b(2), des_b(2), cre_a(5), des_a(5)): 4,
(cre_b(2), des_b(2), cre_b(5), des_b(5)): 4,
(cre_a(2), des_a(2), cre_a(0), des_a(0)): 4,
(cre_a(2), des_a(2), cre_b(0), des_b(0)): 4,
(cre_b(2), des_b(2), cre_a(0), des_a(0)): 4,
(cre_b(2), des_b(2), cre_b(0), des_b(0)): 4,
(cre_a(3), des_a(3), cre_a(6), des_a(6)): 4,
(cre_a(3), des_a(3), cre_b(6), des_b(6)): 4,
(cre_b(3), des_b(3), cre_a(6), des_a(6)): 4,
(cre_b(3), des_b(3), cre_b(6), des_b(6)): 4,
(cre_a(3), des_a(3), cre_a(4), des_a(4)): 4,
(cre_a(3), des_a(3), cre_b(4), des_b(4)): 4,
(cre_b(3), des_b(3), cre_a(4), des_a(4)): 4,
(cre_b(3), des_b(3), cre_b(4), des_b(4)): 4,
(cre_a(4), des_a(4), cre_a(7), des_a(7)): 4,
(cre_a(4), des_a(4), cre_b(7), des_b(7)): 4,
(cre_b(4), des_b(4), cre_a(7), des_a(7)): 4,
(cre_b(4), des_b(4), cre_b(7), des_b(7)): 4,
(cre_a(4), des_a(4), cre_a(5), des_a(5)): 4,
(cre_a(4), des_a(4), cre_b(5), des_b(5)): 4,
(cre_b(4), des_b(4), cre_a(5), des_a(5)): 4,
(cre_b(4), des_b(4), cre_b(5), des_b(5)): 4,
(cre_a(5), des_a(5), cre_a(8), des_a(8)): 4,
(cre_a(5), des_a(5), cre_b(8), des_b(8)): 4,
(cre_b(5), des_b(5), cre_a(8), des_a(8)): 4,
(cre_b(5), des_b(5), cre_b(8), des_b(8)): 4,
(cre_a(5), des_a(5), cre_a(3), des_a(3)): 4,
(cre_a(5), des_a(5), cre_b(3), des_b(3)): 4,
(cre_b(5), des_b(5), cre_a(3), des_a(3)): 4,
(cre_b(5), des_b(5), cre_b(3), des_b(3)): 4,
(cre_a(6), des_a(6), cre_a(0), des_a(0)): 4,
(cre_a(6), des_a(6), cre_b(0), des_b(0)): 4,
(cre_b(6), des_b(6), cre_a(0), des_a(0)): 4,
(cre_b(6), des_b(6), cre_b(0), des_b(0)): 4,
(cre_a(6), des_a(6), cre_a(7), des_a(7)): 4,
(cre_a(6), des_a(6), cre_b(7), des_b(7)): 4,
(cre_b(6), des_b(6), cre_a(7), des_a(7)): 4,
(cre_b(6), des_b(6), cre_b(7), des_b(7)): 4,
(cre_a(7), des_a(7), cre_a(1), des_a(1)): 4,
(cre_a(7), des_a(7), cre_b(1), des_b(1)): 4,
(cre_b(7), des_b(7), cre_a(1), des_a(1)): 4,
(cre_b(7), des_b(7), cre_b(1), des_b(1)): 4,
(cre_a(7), des_a(7), cre_a(8), des_a(8)): 4,
(cre_a(7), des_a(7), cre_b(8), des_b(8)): 4,
(cre_b(7), des_b(7), cre_a(8), des_a(8)): 4,
(cre_b(7), des_b(7), cre_b(8), des_b(8)): 4,
(cre_a(8), des_a(8), cre_a(2), des_a(2)): 4,
(cre_a(8), des_a(8), cre_b(2), des_b(2)): 4,
(cre_b(8), des_b(8), cre_a(2), des_a(2)): 4,
(cre_b(8), des_b(8), cre_b(2), des_b(2)): 4,
(cre_a(8), des_a(8), cre_a(6), des_a(6)): 4,
(cre_a(8), des_a(8), cre_b(6), des_b(6)): 4,
(cre_b(8), des_b(8), cre_a(6), des_a(6)): 4,
(cre_b(8), des_b(8), cre_b(6), des_b(6)): 4,
},
)

# periodic boundary conditions (edge case)
op_periodic_edge = fermi_hubbard_2d(
norb_x=2,
norb_y=2,
tunneling=1,
Expand All @@ -206,7 +393,7 @@ def test_fermi_hubbard_2d():
periodic=True,
)
np.testing.assert_equal(
dict(op_periodic),
dict(op_periodic_edge),
{
(cre_a(0), des_a(2)): -2,
(cre_b(0), des_b(2)): -2,
Expand Down Expand Up @@ -299,11 +486,11 @@ def test_non_interacting_fermi_hubbard_2d_eigenvalue():
eigs, _ = scipy.sparse.linalg.eigsh(ham, which="SA", k=1)
np.testing.assert_allclose(eigs[0], -4.000000000000)

# periodic boundary conditions
op_periodic = fermi_hubbard_2d(
# periodic boundary conditions (edge case)
op_periodic_edge = fermi_hubbard_2d(
norb_x=2, norb_y=2, tunneling=1, interaction=0, periodic=True
)
ham_periodic = ffsim.linear_operator(op_periodic, norb=4, nelec=(2, 2))
ham_periodic = ffsim.linear_operator(op_periodic_edge, norb=4, nelec=(2, 2))
eigs_periodic, _ = scipy.sparse.linalg.eigsh(ham_periodic, which="SA", k=1)
print(eigs_periodic)
np.testing.assert_allclose(eigs_periodic[0], -8.000000000000)
Expand Down Expand Up @@ -336,11 +523,11 @@ def test_fermi_hubbard_2d_with_interaction_eigenvalue():
eigs, _ = scipy.sparse.linalg.eigsh(ham, which="SA", k=1)
np.testing.assert_allclose(eigs[0], -2.828427124746)

# periodic boundary conditions
op_periodic = fermi_hubbard_2d(
# periodic boundary conditions (edge case)
op_periodic_edge = fermi_hubbard_2d(
norb_x=2, norb_y=2, tunneling=1, interaction=2, periodic=True
)
ham_periodic = ffsim.linear_operator(op_periodic, norb=4, nelec=(2, 2))
ham_periodic = ffsim.linear_operator(op_periodic_edge, norb=4, nelec=(2, 2))
eigs_periodic, _ = scipy.sparse.linalg.eigsh(ham_periodic, which="SA", k=1)
np.testing.assert_allclose(eigs_periodic[0], -6.681695234497)

Expand Down Expand Up @@ -376,16 +563,16 @@ def test_fermi_hubbard_2d_with_chemical_potential_eigenvalue():
eigs, _ = scipy.sparse.linalg.eigsh(ham, which="SA", k=1)
np.testing.assert_allclose(eigs[0], -14.828427124746)

# periodic boundary conditions
op_periodic = fermi_hubbard_2d(
# periodic boundary conditions (edge case)
op_periodic_edge = fermi_hubbard_2d(
norb_x=2,
norb_y=2,
tunneling=1,
interaction=2,
chemical_potential=3,
periodic=True,
)
ham_periodic = ffsim.linear_operator(op_periodic, norb=4, nelec=(2, 2))
ham_periodic = ffsim.linear_operator(op_periodic_edge, norb=4, nelec=(2, 2))
eigs_periodic, _ = scipy.sparse.linalg.eigsh(ham_periodic, which="SA", k=1)
np.testing.assert_allclose(eigs_periodic[0], -18.681695234497)

Expand Down Expand Up @@ -439,8 +626,8 @@ def test_fermi_hubbard_2d_with_nearest_neighbor_interaction_eigenvalue():
eigs, _ = scipy.sparse.linalg.eigsh(ham, which="SA", k=1)
np.testing.assert_allclose(eigs[0], -8.781962448006)

# periodic boundary conditions
op_periodic = fermi_hubbard_2d(
# periodic boundary conditions (edge case)
op_periodic_edge = fermi_hubbard_2d(
norb_x=2,
norb_y=2,
tunneling=1,
Expand All @@ -449,7 +636,7 @@ def test_fermi_hubbard_2d_with_nearest_neighbor_interaction_eigenvalue():
nearest_neighbor_interaction=4,
periodic=True,
)
ham_periodic = ffsim.linear_operator(op_periodic, norb=4, nelec=(2, 2))
ham_periodic = ffsim.linear_operator(op_periodic_edge, norb=4, nelec=(2, 2))
eigs_periodic, _ = scipy.sparse.linalg.eigsh(ham_periodic, which="SA", k=1)
np.testing.assert_allclose(eigs_periodic[0], -9.428197577536)

Expand Down Expand Up @@ -501,8 +688,8 @@ def test_fermi_hubbard_2d_with_unequal_filling_eigenvalue():
eigs, _ = scipy.sparse.linalg.eigsh(ham, which="SA", k=1)
np.testing.assert_allclose(eigs[0], -0.828427124746)

# periodic boundary conditions
op_periodic = fermi_hubbard_2d(
# periodic boundary conditions (edge case)
op_periodic_edge = fermi_hubbard_2d(
norb_x=2,
norb_y=2,
tunneling=1,
Expand All @@ -511,7 +698,7 @@ def test_fermi_hubbard_2d_with_unequal_filling_eigenvalue():
nearest_neighbor_interaction=4,
periodic=True,
)
ham_periodic = ffsim.linear_operator(op_periodic, norb=4, nelec=(1, 3))
ham_periodic = ffsim.linear_operator(op_periodic_edge, norb=4, nelec=(1, 3))
eigs_periodic, _ = scipy.sparse.linalg.eigsh(ham_periodic, which="SA", k=1)
np.testing.assert_allclose(eigs_periodic[0], 8.743352161722)

Expand Down

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