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Add additional lattice models #6237

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Sep 20, 2024
Merged

Add additional lattice models #6237

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0685529
Added 3d models
ddhawan11 Sep 6, 2024
799351c
Changed to dictionary format for shapes
ddhawan11 Sep 10, 2024
3b5f4ed
Changed to dictionary format for shapes
ddhawan11 Sep 10, 2024
024f072
Updated changelog
ddhawan11 Sep 10, 2024
0c9a86a
minor docstring fixes
ddhawan11 Sep 10, 2024
0da805f
Merge branch 'master' into lattice_models
ddhawan11 Sep 10, 2024
2a19d6f
Addressed comments
ddhawan11 Sep 16, 2024
efb7a55
Merge branch 'master' into lattice_models
ddhawan11 Sep 16, 2024
6d505dc
Merge branch 'master' into lattice_models
ddhawan11 Sep 16, 2024
5d56113
Added more tests
ddhawan11 Sep 16, 2024
394cbd8
Update doc/releases/changelog-dev.md
ddhawan11 Sep 20, 2024
b446667
Added diamond lattice
ddhawan11 Sep 20, 2024
7fd586d
Merge branch 'master' into lattice_models
ddhawan11 Sep 20, 2024
d00db8a
Added error statement for wrong cell dimensions
ddhawan11 Sep 20, 2024
2a7f84f
Merge branch 'master' into lattice_models
ddhawan11 Sep 20, 2024
268b8a6
Update pennylane/spin/lattice.py
ddhawan11 Sep 20, 2024
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91 changes: 89 additions & 2 deletions pennylane/spin/lattice.py
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Original file line number Diff line number Diff line change
Expand Up @@ -317,6 +317,73 @@ def _kagome(n_cells, boundary_condition=False, neighbour_order=1):
return lattice_kagome


def _lieb(n_cells, boundary_condition=False, neighbour_order=1):
r"""Generates a lieb lattice"""
vectors = [[0, 1], [1, 0]]
positions = [[0, 0], [0.5, 0], [0, 0.5]]

n_cells = n_cells[0:2]
lattice_lieb = Lattice(
n_cells=n_cells,
vectors=vectors,
positions=positions,
neighbour_order=neighbour_order,
boundary_condition=boundary_condition,
)

return lattice_lieb


def _cubic(n_cells, boundary_condition=False, neighbour_order=1):
r"""Generates a cubic lattice"""
vectors = math.eye(3)

n_cells = n_cells[0:3]
lattice_cubic = Lattice(
n_cells=n_cells,
vectors=vectors,
neighbour_order=neighbour_order,
boundary_condition=boundary_condition,
)

return lattice_cubic


def _bcc(n_cells, boundary_condition=False, neighbour_order=1):
r"""Generates a body centered cubic lattice"""
vectors = math.eye(3)
positions = [[0, 0, 0], [0.5, 0.5, 0.5]]

n_cells = n_cells[0:3]
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lattice_bcc = Lattice(
n_cells=n_cells,
vectors=vectors,
positions=positions,
neighbour_order=neighbour_order,
boundary_condition=boundary_condition,
)
print(lattice_bcc.edges)

return lattice_bcc


def _fcc(n_cells, boundary_condition=False, neighbour_order=1):
r"""Generates a face centered cubic lattice"""
vectors = math.eye(3)
positions = [[0, 0, 0], [0.5, 0.5, 0.0], [0.5, 0, 0.5], [0.0, 0.5, 0.5]]

n_cells = n_cells[0:3]
lattice_fcc = Lattice(
n_cells=n_cells,
vectors=vectors,
positions=positions,
neighbour_order=neighbour_order,
boundary_condition=boundary_condition,
)

return lattice_fcc


# TODO Check the efficiency of this function with a dictionary instead.
def _generate_lattice(lattice, n_cells, boundary_condition=False, neighbour_order=1):
r"""Generates the lattice object for a given shape and n_cells.
Expand All @@ -333,10 +400,22 @@ def _generate_lattice(lattice, n_cells, boundary_condition=False, neighbour_orde

lattice_shape = lattice.strip().lower()

if lattice_shape not in ["chain", "square", "rectangle", "honeycomb", "triangle", "kagome"]:
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if lattice_shape not in [
"chain",
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"square",
"rectangle",
"honeycomb",
"triangle",
"kagome",
"lieb",
"cubic",
"bcc",
"fcc",
]:
raise ValueError(
f"Lattice shape, '{lattice}' is not supported."
f"Please set lattice to: chain, square, rectangle, honeycomb, triangle, or kagome"
f"Please set lattice to: chain, square, rectangle, honeycomb, triangle, kagome, lieb,"
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f"cubic, bcc or fcc."
)

if lattice_shape == "chain":
Expand All @@ -351,5 +430,13 @@ def _generate_lattice(lattice, n_cells, boundary_condition=False, neighbour_orde
lattice = _triangle(n_cells, boundary_condition, neighbour_order)
elif lattice_shape == "kagome":
lattice = _kagome(n_cells, boundary_condition, neighbour_order)
elif lattice_shape == "lieb":
lattice = _lieb(n_cells, boundary_condition, neighbour_order)
elif lattice_shape == "cubic":
lattice = _cubic(n_cells, boundary_condition, neighbour_order)
elif lattice_shape == "bcc":
lattice = _bcc(n_cells, boundary_condition, neighbour_order)
elif lattice_shape == "fcc":
lattice = _fcc(n_cells, boundary_condition, neighbour_order)

return lattice
225 changes: 225 additions & 0 deletions tests/spin/test_lattice.py
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Original file line number Diff line number Diff line change
Expand Up @@ -525,6 +525,231 @@ def test_add_edge():
(8, 9, 0),
],
),
(
"LIEB",
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[2, 2],
[
(0, 1, 0),
(0, 2, 0),
(1, 3, 0),
(2, 6, 0),
(3, 4, 0),
(3, 5, 0),
(5, 9, 0),
(6, 7, 0),
(6, 8, 0),
(7, 9, 0),
(9, 10, 0),
(9, 11, 0),
],
),
(
" cubic",
[3, 3, 3],
[
(0, 1, 0),
(0, 3, 0),
(0, 9, 0),
(1, 2, 0),
(1, 4, 0),
(1, 10, 0),
(2, 5, 0),
(2, 11, 0),
(3, 4, 0),
(3, 6, 0),
(3, 12, 0),
(4, 5, 0),
(4, 7, 0),
(4, 13, 0),
(5, 8, 0),
(5, 14, 0),
(6, 7, 0),
(6, 15, 0),
(7, 8, 0),
(7, 16, 0),
(8, 17, 0),
(9, 10, 0),
(9, 12, 0),
(9, 18, 0),
(10, 11, 0),
(10, 13, 0),
(10, 19, 0),
(11, 14, 0),
(11, 20, 0),
(12, 13, 0),
(12, 15, 0),
(12, 21, 0),
(13, 14, 0),
(13, 16, 0),
(13, 22, 0),
(14, 17, 0),
(14, 23, 0),
(15, 16, 0),
(15, 24, 0),
(16, 17, 0),
(16, 25, 0),
(17, 26, 0),
(18, 19, 0),
(18, 21, 0),
(19, 20, 0),
(19, 22, 0),
(20, 23, 0),
(21, 22, 0),
(21, 24, 0),
(22, 23, 0),
(22, 25, 0),
(23, 26, 0),
(24, 25, 0),
(25, 26, 0),
],
),
(
"BCC",
[2, 2, 2],
[
(0, 1, 0),
(1, 2, 0),
(1, 4, 0),
(1, 6, 0),
(1, 8, 0),
(1, 10, 0),
(1, 12, 0),
(1, 14, 0),
(2, 3, 0),
(3, 6, 0),
(3, 10, 0),
(3, 14, 0),
(4, 5, 0),
(5, 6, 0),
(5, 12, 0),
(5, 14, 0),
(6, 7, 0),
(7, 14, 0),
(8, 9, 0),
(9, 10, 0),
(9, 12, 0),
(9, 14, 0),
(10, 11, 0),
(11, 14, 0),
(12, 13, 0),
(13, 14, 0),
(14, 15, 0),
],
),
(
"FCC",
[2, 2, 2],
[
(0, 1, 0),
(0, 2, 0),
(0, 3, 0),
(1, 2, 0),
(1, 3, 0),
(1, 8, 0),
(1, 10, 0),
(1, 16, 0),
(1, 19, 0),
(1, 24, 0),
(2, 3, 0),
(2, 4, 0),
(2, 5, 0),
(2, 16, 0),
(2, 19, 0),
(2, 20, 0),
(3, 4, 0),
(3, 5, 0),
(3, 8, 0),
(3, 10, 0),
(3, 12, 0),
(4, 5, 0),
(4, 6, 0),
(4, 7, 0),
(5, 6, 0),
(5, 7, 0),
(5, 10, 0),
(5, 12, 0),
(5, 14, 0),
(5, 19, 0),
(5, 20, 0),
(5, 23, 0),
(5, 28, 0),
(6, 7, 0),
(6, 20, 0),
(6, 23, 0),
(7, 12, 0),
(7, 14, 0),
(8, 9, 0),
(8, 10, 0),
(8, 11, 0),
(9, 10, 0),
(9, 11, 0),
(9, 24, 0),
(9, 27, 0),
(10, 11, 0),
(10, 12, 0),
(10, 13, 0),
(10, 19, 0),
(10, 24, 0),
(10, 27, 0),
(10, 28, 0),
(11, 12, 0),
(11, 13, 0),
(12, 13, 0),
(12, 14, 0),
(12, 15, 0),
(13, 14, 0),
(13, 15, 0),
(13, 27, 0),
(13, 28, 0),
(13, 31, 0),
(14, 15, 0),
(14, 23, 0),
(14, 28, 0),
(14, 31, 0),
(16, 17, 0),
(16, 18, 0),
(16, 19, 0),
(17, 18, 0),
(17, 19, 0),
(17, 24, 0),
(17, 26, 0),
(18, 19, 0),
(18, 20, 0),
(18, 21, 0),
(19, 20, 0),
(19, 21, 0),
(19, 24, 0),
(19, 26, 0),
(19, 28, 0),
(20, 21, 0),
(20, 22, 0),
(20, 23, 0),
(21, 22, 0),
(21, 23, 0),
(21, 26, 0),
(21, 28, 0),
(21, 30, 0),
(22, 23, 0),
(23, 28, 0),
(23, 30, 0),
(24, 25, 0),
(24, 26, 0),
(24, 27, 0),
(25, 26, 0),
(25, 27, 0),
(26, 27, 0),
(26, 28, 0),
(26, 29, 0),
(27, 28, 0),
(27, 29, 0),
(28, 29, 0),
(28, 30, 0),
(28, 31, 0),
(29, 30, 0),
(29, 31, 0),
(30, 31, 0),
],
),
],
)
def test_edges_for_shapes(shape, n_cells, expected_edges):
Expand Down
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