def test_lattice_get_unique_sites_squaregeom(self):
"""
Test ed_geometry.Lattice.get_unique_sites for a square lattice
:return:
"""
latt_vect1 = np.array([1, 0])
latt_vect2 = np.array([0, 1])
periodicity_vect1 = np.array([3, 0])
periodicity_vect2 = np.array([0, 3])
basis_vects = [np.array([[0.], [0.]])]
phase1 = 0
phase2 = 0
latt = ed_geometry.Lattice(latt_vect1, latt_vect2, basis_vects,
periodicity_vect1, periodicity_vect2,
phase1, phase2)
nsites, xlocs, ylocs = latt.get_unique_sites()
nsites_expected = 9
xlocs_expected = np.array([0., 0., 0., 1., 1., 1., 2., 2., 2.])
ylocs_expected = np.array([0., 1., 2., 0., 1., 2., 0., 1., 2.])
correct_sites = nsites == nsites_expected and \
np.array_equal(xlocs, xlocs_expected) and \
np.array_equal(ylocs, ylocs_expected)
self.assertTrue(correct_sites)
def test_lattice_reduce_to_unit_cell(self):
"""
Test ed_geometry.Lattice.reduce_to_unit_cell
:return:
"""
latt_vect1 = np.array([1, 0])
latt_vect2 = np.array([0, 1])
basis_vects = [np.array([[0.], [0.]])]
periodicity_vect1 = np.array([3, 1])
periodicity_vect2 = np.array([-1, 3])
phase1 = 0
phase2 = 0
latt = ed_geometry.Lattice(latt_vect1, latt_vect2, basis_vects,
periodicity_vect1, periodicity_vect2,
phase1, phase2)
xlocs_test = [0., 1., 2., 3., 4., 5., 6., 7., 8.]
ylocs_test = [0., 0., 0., 0., 0., 0., 0., 0., 0.]
xs_reduced, ys_reduced, n1s, n2s = latt.reduce_to_unit_cell(
xlocs_test, ylocs_test, mode='positive')
xs_reduced_expected = np.array([0., 0., 1., 2., 0., 1., 2., 0., 1.])
ys_reduced_expected = np.array([0., 3., 3., 3., 2., 2., 2., 1., 1.])
n1s_expected = np.array([[0., 0., 0, 0., 1., 1., 1., 2., 2.]])
n2s_expected = np.array([[0., -1., -1., -1., -1., -1., -1., -1., -1.]])
self.assertTrue(
np.array_equal(xs_reduced, xs_reduced_expected)
and np.array_equal(ys_reduced, ys_reduced_expected)
and np.array_equal(n1s, n1s_expected)
and np.array_equal(n2s, n2s_expected))
def test_lattice_get_reduced_distance(self):
"""
Test ed_geometry.Lattice.get_reduced_distances for a 1D chain
:return:
"""
num_sites = 7
latt_vect1 = np.array([1, 0])
latt_vect2 = np.array([0, 1])
basis_vects = [np.array([[0.], [0.]])]
periodicity_vect1 = np.array([num_sites, 0])
periodicity_vect2 = np.array([0, 0])
phase1 = 0.333
phase2 = 0.
bc1_open = False
bc2_open = True
latt = ed_geometry.Lattice(latt_vect1, latt_vect2, basis_vects,
periodicity_vect1, periodicity_vect2,
phase1, phase2)
nsites, xlocs, ylocs = latt.get_unique_sites()
# xdist_min_mat, ydist_min_mat, dist_reduced_multiplicity = \
# latt.get_reduced_distance(xlocs, ylocs)
xdist_min_mat, ydist_min_mat, _, _ = latt.get_reduced_distance(
xlocs, ylocs)
xi, xj = np.meshgrid(np.arange(0, num_sites), np.arange(0, num_sites))
xdist_exp = xj - xi
xdist_exp[xdist_exp < -num_sites /
2.] = xdist_exp[xdist_exp < -num_sites / 2.] + num_sites
xdist_exp[xdist_exp > num_sites /
2.] = xdist_exp[xdist_exp > num_sites / 2.] - num_sites
self.assertTrue(np.array_equal(xdist_min_mat, xdist_exp))
def test_lattice_get_unique_sites_triangle_geom(self):
"""
Test ed_geometry.Lattice.get_unique_sites for a triangular lattice
:return:
"""
latt_vect1 = np.array([1, 0])
latt_vect2 = np.array([0.5, np.sqrt(3) / 2])
basis_vects = [np.array([[0.], [0.]])]
periodicity_vect1 = 3 * latt_vect1
periodicity_vect2 = 3 * latt_vect2
phase1 = 0
phase2 = 0
latt = ed_geometry.Lattice(latt_vect1, latt_vect2, basis_vects,
periodicity_vect1, periodicity_vect2,
phase1, phase2)
nsites, xlocs, ylocs = latt.get_unique_sites()
nsites_expected = 9
xlocs_expected = np.array([0., 0.5, 1., 1., 1.5, 2., 2., 2.5, 3.])
ylocs_expected = np.array([
0.,
np.sqrt(3) / 2, 0.,
np.sqrt(3),
np.sqrt(3) / 2, 0.,
np.sqrt(3),
np.sqrt(3) / 2,
np.sqrt(3)
])
self.assertTrue(
nsites == nsites_expected
and np.round(np.abs(xlocs - xlocs_expected).max(), 12) == 0
and np.round(np.abs(ylocs - ylocs_expected).max(), 12) == 0)
def test_lattice_get_unique_sites_tiltedgeom(self):
"""
Test ed_geometry.Lattice.get_unique_sites for a square lattice with periodicity vectors that are not colinear
with the lattice vectors.
:return:
"""
latt_vect1 = np.array([1, 0])
latt_vect2 = np.array([0, 1])
basis_vects = [np.array([[0.], [0.]])]
periodicity_vect1 = np.array([3, 1])
periodicity_vect2 = np.array([-1, 3])
phase1 = 0
phase2 = 0
latt = ed_geometry.Lattice(latt_vect1, latt_vect2, basis_vects,
periodicity_vect1, periodicity_vect2,
phase1, phase2)
nsites, xlocs, ylocs = latt.get_unique_sites()
nsites_expected = 10
xlocs_expected = np.array([0., 0., 0., 0., 1., 1., 1., 2., 2., 2.])
ylocs_expected = np.array([0., 1., 2., 3., 1., 2., 3., 1., 2., 3.])
correct_sites = nsites == nsites_expected and \
np.array_equal(xlocs, xlocs_expected) and \
np.array_equal(ylocs, ylocs_expected)
self.assertTrue(correct_sites)
def test_lattice_get_phase_mat(self):
latt_vect1 = np.array([1, 0])
latt_vect2 = np.array([0, 0])
basis_vects = [np.array([[0.], [0.]])]
periodicity_vect1 = np.array([6, 0])
periodicity_vect2 = np.array([0, 0])
phase1 = 0.333
phase2 = 0.
bc1_open = False
bc2_open = True
latt = ed_geometry.Lattice(latt_vect1, latt_vect2, basis_vects,
periodicity_vect1, periodicity_vect2,
phase1, phase2)
nsites, xlocs, ylocs = latt.get_unique_sites()
xdist_min_mat, ydist_min_mat, _, _ = \
latt.get_reduced_distance(xlocs, ylocs)
phase_mat = latt.get_phase_mat(xdist_min_mat, ydist_min_mat)
phase_mat_expected = 0
#phase_mat_expected = np.exp(1j * phase1 * )
self.assertTrue(np.array_equal(phase_mat, phase_mat_expected))