Trajectree 0.0.0__py3-none-any.whl → 0.0.1__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- trajectree/__init__.py +3 -0
- trajectree/fock_optics/devices.py +1 -1
- trajectree/fock_optics/light_sources.py +2 -2
- trajectree/fock_optics/measurement.py +3 -3
- trajectree/fock_optics/utils.py +6 -6
- trajectree/quimb/docs/_pygments/_pygments_dark.py +118 -0
- trajectree/quimb/docs/_pygments/_pygments_light.py +118 -0
- trajectree/quimb/docs/conf.py +158 -0
- trajectree/quimb/docs/examples/ex_mpi_expm_evo.py +62 -0
- trajectree/quimb/quimb/__init__.py +507 -0
- trajectree/quimb/quimb/calc.py +1491 -0
- trajectree/quimb/quimb/core.py +2279 -0
- trajectree/quimb/quimb/evo.py +712 -0
- trajectree/quimb/quimb/experimental/__init__.py +0 -0
- trajectree/quimb/quimb/experimental/autojittn.py +129 -0
- trajectree/quimb/quimb/experimental/belief_propagation/__init__.py +109 -0
- trajectree/quimb/quimb/experimental/belief_propagation/bp_common.py +397 -0
- trajectree/quimb/quimb/experimental/belief_propagation/d1bp.py +316 -0
- trajectree/quimb/quimb/experimental/belief_propagation/d2bp.py +653 -0
- trajectree/quimb/quimb/experimental/belief_propagation/hd1bp.py +571 -0
- trajectree/quimb/quimb/experimental/belief_propagation/hv1bp.py +775 -0
- trajectree/quimb/quimb/experimental/belief_propagation/l1bp.py +316 -0
- trajectree/quimb/quimb/experimental/belief_propagation/l2bp.py +537 -0
- trajectree/quimb/quimb/experimental/belief_propagation/regions.py +194 -0
- trajectree/quimb/quimb/experimental/cluster_update.py +286 -0
- trajectree/quimb/quimb/experimental/merabuilder.py +865 -0
- trajectree/quimb/quimb/experimental/operatorbuilder/__init__.py +15 -0
- trajectree/quimb/quimb/experimental/operatorbuilder/operatorbuilder.py +1631 -0
- trajectree/quimb/quimb/experimental/schematic.py +7 -0
- trajectree/quimb/quimb/experimental/tn_marginals.py +130 -0
- trajectree/quimb/quimb/experimental/tnvmc.py +1483 -0
- trajectree/quimb/quimb/gates.py +36 -0
- trajectree/quimb/quimb/gen/__init__.py +2 -0
- trajectree/quimb/quimb/gen/operators.py +1167 -0
- trajectree/quimb/quimb/gen/rand.py +713 -0
- trajectree/quimb/quimb/gen/states.py +479 -0
- trajectree/quimb/quimb/linalg/__init__.py +6 -0
- trajectree/quimb/quimb/linalg/approx_spectral.py +1109 -0
- trajectree/quimb/quimb/linalg/autoblock.py +258 -0
- trajectree/quimb/quimb/linalg/base_linalg.py +719 -0
- trajectree/quimb/quimb/linalg/mpi_launcher.py +397 -0
- trajectree/quimb/quimb/linalg/numpy_linalg.py +244 -0
- trajectree/quimb/quimb/linalg/rand_linalg.py +514 -0
- trajectree/quimb/quimb/linalg/scipy_linalg.py +293 -0
- trajectree/quimb/quimb/linalg/slepc_linalg.py +892 -0
- trajectree/quimb/quimb/schematic.py +1518 -0
- trajectree/quimb/quimb/tensor/__init__.py +401 -0
- trajectree/quimb/quimb/tensor/array_ops.py +610 -0
- trajectree/quimb/quimb/tensor/circuit.py +4824 -0
- trajectree/quimb/quimb/tensor/circuit_gen.py +411 -0
- trajectree/quimb/quimb/tensor/contraction.py +336 -0
- trajectree/quimb/quimb/tensor/decomp.py +1255 -0
- trajectree/quimb/quimb/tensor/drawing.py +1646 -0
- trajectree/quimb/quimb/tensor/fitting.py +385 -0
- trajectree/quimb/quimb/tensor/geometry.py +583 -0
- trajectree/quimb/quimb/tensor/interface.py +114 -0
- trajectree/quimb/quimb/tensor/networking.py +1058 -0
- trajectree/quimb/quimb/tensor/optimize.py +1818 -0
- trajectree/quimb/quimb/tensor/tensor_1d.py +4778 -0
- trajectree/quimb/quimb/tensor/tensor_1d_compress.py +1854 -0
- trajectree/quimb/quimb/tensor/tensor_1d_tebd.py +662 -0
- trajectree/quimb/quimb/tensor/tensor_2d.py +5954 -0
- trajectree/quimb/quimb/tensor/tensor_2d_compress.py +96 -0
- trajectree/quimb/quimb/tensor/tensor_2d_tebd.py +1230 -0
- trajectree/quimb/quimb/tensor/tensor_3d.py +2869 -0
- trajectree/quimb/quimb/tensor/tensor_3d_tebd.py +46 -0
- trajectree/quimb/quimb/tensor/tensor_approx_spectral.py +60 -0
- trajectree/quimb/quimb/tensor/tensor_arbgeom.py +3237 -0
- trajectree/quimb/quimb/tensor/tensor_arbgeom_compress.py +565 -0
- trajectree/quimb/quimb/tensor/tensor_arbgeom_tebd.py +1138 -0
- trajectree/quimb/quimb/tensor/tensor_builder.py +5411 -0
- trajectree/quimb/quimb/tensor/tensor_core.py +11179 -0
- trajectree/quimb/quimb/tensor/tensor_dmrg.py +1472 -0
- trajectree/quimb/quimb/tensor/tensor_mera.py +204 -0
- trajectree/quimb/quimb/utils.py +892 -0
- trajectree/quimb/tests/__init__.py +0 -0
- trajectree/quimb/tests/test_accel.py +501 -0
- trajectree/quimb/tests/test_calc.py +788 -0
- trajectree/quimb/tests/test_core.py +847 -0
- trajectree/quimb/tests/test_evo.py +565 -0
- trajectree/quimb/tests/test_gen/__init__.py +0 -0
- trajectree/quimb/tests/test_gen/test_operators.py +361 -0
- trajectree/quimb/tests/test_gen/test_rand.py +296 -0
- trajectree/quimb/tests/test_gen/test_states.py +261 -0
- trajectree/quimb/tests/test_linalg/__init__.py +0 -0
- trajectree/quimb/tests/test_linalg/test_approx_spectral.py +368 -0
- trajectree/quimb/tests/test_linalg/test_base_linalg.py +351 -0
- trajectree/quimb/tests/test_linalg/test_mpi_linalg.py +127 -0
- trajectree/quimb/tests/test_linalg/test_numpy_linalg.py +84 -0
- trajectree/quimb/tests/test_linalg/test_rand_linalg.py +134 -0
- trajectree/quimb/tests/test_linalg/test_slepc_linalg.py +283 -0
- trajectree/quimb/tests/test_tensor/__init__.py +0 -0
- trajectree/quimb/tests/test_tensor/test_belief_propagation/__init__.py +0 -0
- trajectree/quimb/tests/test_tensor/test_belief_propagation/test_d1bp.py +39 -0
- trajectree/quimb/tests/test_tensor/test_belief_propagation/test_d2bp.py +67 -0
- trajectree/quimb/tests/test_tensor/test_belief_propagation/test_hd1bp.py +64 -0
- trajectree/quimb/tests/test_tensor/test_belief_propagation/test_hv1bp.py +51 -0
- trajectree/quimb/tests/test_tensor/test_belief_propagation/test_l1bp.py +142 -0
- trajectree/quimb/tests/test_tensor/test_belief_propagation/test_l2bp.py +101 -0
- trajectree/quimb/tests/test_tensor/test_circuit.py +816 -0
- trajectree/quimb/tests/test_tensor/test_contract.py +67 -0
- trajectree/quimb/tests/test_tensor/test_decomp.py +40 -0
- trajectree/quimb/tests/test_tensor/test_mera.py +52 -0
- trajectree/quimb/tests/test_tensor/test_optimizers.py +488 -0
- trajectree/quimb/tests/test_tensor/test_tensor_1d.py +1171 -0
- trajectree/quimb/tests/test_tensor/test_tensor_2d.py +606 -0
- trajectree/quimb/tests/test_tensor/test_tensor_2d_tebd.py +144 -0
- trajectree/quimb/tests/test_tensor/test_tensor_3d.py +123 -0
- trajectree/quimb/tests/test_tensor/test_tensor_arbgeom.py +226 -0
- trajectree/quimb/tests/test_tensor/test_tensor_builder.py +441 -0
- trajectree/quimb/tests/test_tensor/test_tensor_core.py +2066 -0
- trajectree/quimb/tests/test_tensor/test_tensor_dmrg.py +388 -0
- trajectree/quimb/tests/test_tensor/test_tensor_spectral_approx.py +63 -0
- trajectree/quimb/tests/test_tensor/test_tensor_tebd.py +270 -0
- trajectree/quimb/tests/test_utils.py +85 -0
- trajectree/trajectory.py +2 -2
- {trajectree-0.0.0.dist-info → trajectree-0.0.1.dist-info}/METADATA +2 -2
- trajectree-0.0.1.dist-info/RECORD +126 -0
- trajectree-0.0.0.dist-info/RECORD +0 -16
- {trajectree-0.0.0.dist-info → trajectree-0.0.1.dist-info}/WHEEL +0 -0
- {trajectree-0.0.0.dist-info → trajectree-0.0.1.dist-info}/licenses/LICENSE +0 -0
- {trajectree-0.0.0.dist-info → trajectree-0.0.1.dist-info}/top_level.txt +0 -0
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from pytest import mark
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import numpy as np
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from numpy.testing import assert_allclose
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from quimb import (
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tr,
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eye,
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chop,
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ikron,
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expec,
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ptr,
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eigh,
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groundstate,
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concurrence,
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basis_vec,
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up,
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down,
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plus,
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minus,
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yplus,
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yminus,
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thermal_state,
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neel_state,
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ham_j1j2,
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rand_herm,
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graph_state_1d,
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pauli,
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levi_civita,
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bloch_state,
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bell_state,
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singlet,
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singlet_pairs,
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werner_state,
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ghz_state,
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w_state,
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perm_state,
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)
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class TestBasisVec:
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def test_basis_vec(self):
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x = basis_vec(1, 2)
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assert_allclose(x, [[0.0], [1.0]])
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x = basis_vec(1, 2, qtype="b")
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assert_allclose(x, [[0.0, 1.0]])
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class TestBasicStates:
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def test_up(self):
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p = up(qtype="dop")
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assert_allclose(tr(p @ pauli("z")), 1.0)
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def test_down(self):
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p = down(qtype="dop")
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assert_allclose(tr(p @ pauli("z")), -1.0)
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def test_plus(self):
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p = plus(qtype="dop")
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assert_allclose(tr(p @ pauli("x")), 1.0)
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def test_minus(self):
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p = minus(qtype="dop")
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assert_allclose(tr(p @ pauli("x")), -1.0)
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def test_yplus(self):
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p = yplus(qtype="dop")
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assert_allclose(tr(p @ pauli("y")), 1.0)
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def test_yminus(self):
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p = yminus(qtype="dop")
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assert_allclose(tr(p @ pauli("y")), -1.0)
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class TestBlochState:
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def test_pure(self):
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for vec, op, val in zip(
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(1, 0, 0),
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(0, 1, 0),
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(0, 0, 1),
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(-1, 0, 0),
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(0, -1, 0),
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(0, 0, -1),
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),
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("x", "y", "z", "x", "y", "z"),
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(1, 1, 1, -1, -1, -1),
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):
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x = tr(bloch_state(*vec) @ pauli(op))
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assert_allclose(x, val)
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def test_mixed(self):
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for vec, op, val in zip(
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(0, 0.5, 0),
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(0, 0, 0.5),
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(0, -0.5, 0),
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(0, 0, -0.5),
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("x", "y", "z", "x", "y", "z"),
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(0.5, 0.5, 0.5, -0.5, -0.5, -0.5),
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):
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x = tr(bloch_state(*vec) @ pauli(op))
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assert_allclose(x, val)
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def test_purify(self):
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for vec, op, val in zip(
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(0, 0.5, 0),
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(0, 0, 0.5),
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(-0.5, 0, 0),
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(0, -0.5, 0),
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(0, 0, -0.5),
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),
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("x", "y", "z", "x", "y", "z"),
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(1, 1, 1, -1, -1, -1),
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):
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x = tr(bloch_state(*vec, purified=True) @ pauli(op))
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assert_allclose(x, val)
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class TestBellStates:
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def test_bell_states(self):
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for s, dic in zip(
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("psi-", "psi+", "phi+", "phi-"),
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({"qtype": "dop"}, {}, {"sparse": True}, {}),
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):
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p = bell_state(s, **dic)
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assert_allclose(expec(p, p), 1.0)
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pa = ptr(p, [2, 2], 0)
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assert_allclose(expec(pa, pa), 0.5)
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def test_bell_state_singlet(self):
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p = singlet(qtype="dop", sparse=True)
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assert_allclose(expec(p, p), 1.0)
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pa = ptr(p, [2, 2], 0)
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assert_allclose(expec(pa, pa), 0.5)
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class TestThermalState:
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def test_thermal_state_normalization(self):
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full = rand_herm(2**4)
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for beta in (0, 0.5, 1, 10):
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rhoth = thermal_state(full, beta)
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assert_allclose(tr(rhoth), 1)
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def test_thermal_state_tuple(self):
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full = rand_herm(2**4)
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l, v = eigh(full)
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for beta in (0, 0.5, 1, 10):
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rhoth1 = thermal_state(full, beta)
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rhoth2 = thermal_state((l, v), beta)
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assert_allclose(rhoth1, rhoth2)
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def test_thermal_state_hot(self):
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full = rand_herm(2**4)
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rhoth = chop(thermal_state(full, 0.0))
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assert_allclose(rhoth, eye(2**4) / 2**4)
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def test_thermal_state_cold(self):
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full = ham_j1j2(4, j2=0.1253)
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rhoth = thermal_state(full, 100)
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gs = groundstate(full)
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assert_allclose(tr(gs.H @ rhoth @ gs), 1.0, rtol=1e-4)
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def test_thermal_state_precomp(self):
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full = rand_herm(2**4)
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beta = 0.624
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rhoth1 = thermal_state(full, beta)
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func = thermal_state(full, None, precomp_func=True)
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rhoth2 = func(beta)
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assert_allclose(rhoth1, rhoth2)
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class TestNeelState:
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def test_simple(self):
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p = neel_state(1)
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assert_allclose(p, up())
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p = neel_state(2)
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assert_allclose(p, up() & down())
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p = neel_state(3)
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assert_allclose(p, up() & down() & up())
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class TestSingletPairs:
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def test_n2(self):
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p = singlet_pairs(2)
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assert_allclose(p, bell_state("psi-"))
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p = singlet_pairs(4)
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assert_allclose(p, bell_state("psi-") & bell_state("psi-"))
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class TestWernerState:
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def test_extremes(self):
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p = werner_state(1)
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assert_allclose(p, bell_state("psi-", qtype="dop"))
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p = werner_state(0)
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assert_allclose(p, eye(4) / 4, atol=1e-14)
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@mark.parametrize("p", np.linspace(0, 1 / 3, 10))
|
|
202
|
+
def test_no_entanglement(self, p):
|
|
203
|
+
rho = werner_state(p)
|
|
204
|
+
assert concurrence(rho) < 1e-14
|
|
205
|
+
|
|
206
|
+
@mark.parametrize("p", np.linspace(1 / 3 + 0.001, 1.0, 10))
|
|
207
|
+
def test_entanglement(self, p):
|
|
208
|
+
rho = werner_state(p)
|
|
209
|
+
assert concurrence(rho) > 1e-14
|
|
210
|
+
|
|
211
|
+
|
|
212
|
+
class TestGHZState:
|
|
213
|
+
def test_n2(self):
|
|
214
|
+
p = ghz_state(2)
|
|
215
|
+
assert_allclose(p, bell_state("phi+"))
|
|
216
|
+
|
|
217
|
+
|
|
218
|
+
class TestWState:
|
|
219
|
+
def test_n2(self):
|
|
220
|
+
p = w_state(2)
|
|
221
|
+
assert_allclose(p, bell_state("psi+"))
|
|
222
|
+
|
|
223
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+
|
|
224
|
+
class TestLeviCivita:
|
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225
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+
def test_levi_civita_pos(self):
|
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226
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+
perm = [0, 1, 2, 3]
|
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227
|
+
assert levi_civita(perm) == 1
|
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228
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+
perm = [2, 3, 0, 1]
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229
|
+
assert levi_civita(perm) == 1
|
|
230
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+
|
|
231
|
+
def test_levi_civita_neg(self):
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232
|
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perm = [0, 2, 1, 3]
|
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233
|
+
assert levi_civita(perm) == -1
|
|
234
|
+
perm = [2, 3, 1, 0]
|
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235
|
+
assert levi_civita(perm) == -1
|
|
236
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+
|
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237
|
+
def test_levi_civita_nzero(self):
|
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238
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perm = [2, 3, 1, 1]
|
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239
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+
assert levi_civita(perm) == 0
|
|
240
|
+
perm = [0, 0, 1, 1]
|
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241
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+
assert levi_civita(perm) == 0
|
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+
|
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243
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+
|
|
244
|
+
class TestPermState:
|
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245
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+
def test_n2(self):
|
|
246
|
+
p = perm_state([up(), down()])
|
|
247
|
+
assert_allclose(p, bell_state("psi-"))
|
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248
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+
|
|
249
|
+
|
|
250
|
+
class TestGraphState:
|
|
251
|
+
def test_graph_state_1d(self):
|
|
252
|
+
n = 5
|
|
253
|
+
p = graph_state_1d(n, cyclic=True)
|
|
254
|
+
for j in range(n):
|
|
255
|
+
k = ikron(
|
|
256
|
+
[pauli("x"), pauli("z"), pauli("z")],
|
|
257
|
+
dims=[2] * n,
|
|
258
|
+
inds=(j, (j - 1) % n, (j + 1) % n),
|
|
259
|
+
)
|
|
260
|
+
o = p.H @ k @ p
|
|
261
|
+
np.testing.assert_allclose(o, 1)
|
|
File without changes
|
|
@@ -0,0 +1,368 @@
|
|
|
1
|
+
import pytest
|
|
2
|
+
import numpy as np
|
|
3
|
+
from numpy.testing import assert_allclose
|
|
4
|
+
|
|
5
|
+
from quimb import (
|
|
6
|
+
prod,
|
|
7
|
+
rand_ket,
|
|
8
|
+
rand_pos,
|
|
9
|
+
rand_herm,
|
|
10
|
+
partial_transpose,
|
|
11
|
+
eigvalsh,
|
|
12
|
+
neel_state,
|
|
13
|
+
ham_heis,
|
|
14
|
+
logneg,
|
|
15
|
+
negativity,
|
|
16
|
+
entropy,
|
|
17
|
+
can_use_mpi_pool,
|
|
18
|
+
)
|
|
19
|
+
from quimb.utils import last
|
|
20
|
+
|
|
21
|
+
from quimb.linalg.approx_spectral import (
|
|
22
|
+
lazy_ptr_ppt_linop,
|
|
23
|
+
construct_lanczos_tridiag,
|
|
24
|
+
lanczos_tridiag_eig,
|
|
25
|
+
approx_spectral_function,
|
|
26
|
+
lazy_ptr_linop,
|
|
27
|
+
tr_abs_approx,
|
|
28
|
+
tr_exp_approx,
|
|
29
|
+
tr_sqrt_approx,
|
|
30
|
+
tr_xlogx_approx,
|
|
31
|
+
entropy_subsys_approx,
|
|
32
|
+
logneg_subsys_approx,
|
|
33
|
+
negativity_subsys_approx,
|
|
34
|
+
norm_fro,
|
|
35
|
+
norm_fro_approx,
|
|
36
|
+
)
|
|
37
|
+
|
|
38
|
+
MPI_PARALLEL = [False]
|
|
39
|
+
if can_use_mpi_pool():
|
|
40
|
+
MPI_PARALLEL.append(True)
|
|
41
|
+
|
|
42
|
+
|
|
43
|
+
np.random.seed(42)
|
|
44
|
+
|
|
45
|
+
DIMS = [5, 6, 7]
|
|
46
|
+
DIMS_MB = [2] * 11
|
|
47
|
+
|
|
48
|
+
|
|
49
|
+
@pytest.fixture
|
|
50
|
+
def psi_abc():
|
|
51
|
+
return rand_ket(prod(DIMS))
|
|
52
|
+
|
|
53
|
+
|
|
54
|
+
@pytest.fixture
|
|
55
|
+
def psi_ab():
|
|
56
|
+
return rand_ket(prod(DIMS[:-1]))
|
|
57
|
+
|
|
58
|
+
|
|
59
|
+
@pytest.fixture
|
|
60
|
+
def psi_ab_mat():
|
|
61
|
+
return np.concatenate(
|
|
62
|
+
[rand_ket(prod(DIMS[:-1])) for _ in range(6)], axis=1
|
|
63
|
+
)
|
|
64
|
+
|
|
65
|
+
|
|
66
|
+
@pytest.fixture
|
|
67
|
+
def psi_mb_abc():
|
|
68
|
+
return rand_ket(prod(DIMS_MB))
|
|
69
|
+
|
|
70
|
+
|
|
71
|
+
@pytest.fixture
|
|
72
|
+
def psi_mb_ab():
|
|
73
|
+
return rand_ket(prod(DIMS_MB[:7]))
|
|
74
|
+
|
|
75
|
+
|
|
76
|
+
@pytest.fixture
|
|
77
|
+
def psi_mb_ab_mat():
|
|
78
|
+
return np.concatenate(
|
|
79
|
+
[rand_ket(prod(DIMS_MB[:7])) for _ in range(6)], axis=1
|
|
80
|
+
)
|
|
81
|
+
|
|
82
|
+
|
|
83
|
+
class TestLazyTensorEval:
|
|
84
|
+
# ------------------------- Just partial trace -------------------------- #
|
|
85
|
+
|
|
86
|
+
def test_lazy_ptr_dot_simple_linear_op(self, psi_abc, psi_ab):
|
|
87
|
+
rho_ab = psi_abc.ptr(DIMS, [0, 1])
|
|
88
|
+
psi_out_expected = rho_ab @ psi_ab
|
|
89
|
+
lo = lazy_ptr_linop(psi_abc, DIMS, [0, 1])
|
|
90
|
+
assert hasattr(lo, "H")
|
|
91
|
+
assert lo.dtype == complex
|
|
92
|
+
assert lo.shape == (DIMS[0] * DIMS[1], DIMS[0] * DIMS[1])
|
|
93
|
+
psi_out_got = lo @ psi_ab
|
|
94
|
+
assert_allclose(psi_out_expected, psi_out_got)
|
|
95
|
+
|
|
96
|
+
def test_lazy_ptr_dot_mat_simple_linear_op(self, psi_abc, psi_ab_mat):
|
|
97
|
+
rho_ab = psi_abc.ptr(DIMS, [0, 1])
|
|
98
|
+
psi_out_expected = rho_ab @ psi_ab_mat
|
|
99
|
+
lo = lazy_ptr_linop(psi_abc, DIMS, [0, 1])
|
|
100
|
+
psi_out_got = lo @ psi_ab_mat
|
|
101
|
+
assert_allclose(psi_out_expected, psi_out_got)
|
|
102
|
+
|
|
103
|
+
def test_lazy_ptr_dot_manybody_linear_op(self, psi_mb_abc, psi_mb_ab):
|
|
104
|
+
sysa = [0, 1, 2, 3, 7, 8, 9]
|
|
105
|
+
rho_ab = psi_mb_abc.ptr(DIMS_MB, sysa)
|
|
106
|
+
psi_out_expected = rho_ab @ psi_mb_ab
|
|
107
|
+
lo = lazy_ptr_linop(psi_mb_abc, DIMS_MB, sysa=sysa)
|
|
108
|
+
assert hasattr(lo, "H")
|
|
109
|
+
assert lo.dtype == complex
|
|
110
|
+
assert lo.shape == (128, 128)
|
|
111
|
+
psi_out_got = lo @ psi_mb_ab
|
|
112
|
+
assert_allclose(psi_out_expected, psi_out_got)
|
|
113
|
+
|
|
114
|
+
def test_lazy_ptr_dot_mat_manybody_linear_op(
|
|
115
|
+
self, psi_mb_abc, psi_mb_ab_mat
|
|
116
|
+
):
|
|
117
|
+
sysa = [0, 1, 2, 3, 7, 8, 9]
|
|
118
|
+
rho_ab = psi_mb_abc.ptr(DIMS_MB, sysa)
|
|
119
|
+
psi_out_expected = rho_ab @ psi_mb_ab_mat
|
|
120
|
+
lo = lazy_ptr_linop(psi_mb_abc, DIMS_MB, sysa=sysa)
|
|
121
|
+
psi_out_got = lo @ psi_mb_ab_mat
|
|
122
|
+
assert_allclose(psi_out_expected, psi_out_got)
|
|
123
|
+
|
|
124
|
+
# ----------------- partial trace and partial transpose ----------------- #
|
|
125
|
+
|
|
126
|
+
def test_lazy_ptr_ppt_dot_linear_op(self, psi_abc, psi_ab):
|
|
127
|
+
rho_ab = psi_abc.ptr(DIMS, [0, 1])
|
|
128
|
+
rho_ab_pt = partial_transpose(rho_ab, DIMS[:-1])
|
|
129
|
+
psi_out_expected = rho_ab_pt @ psi_ab
|
|
130
|
+
lo = lazy_ptr_ppt_linop(psi_abc, DIMS, 0, 1)
|
|
131
|
+
assert hasattr(lo, "H")
|
|
132
|
+
assert lo.dtype == complex
|
|
133
|
+
assert lo.shape == (DIMS[0] * DIMS[1], DIMS[0] * DIMS[1])
|
|
134
|
+
psi_out_got = lo @ psi_ab
|
|
135
|
+
assert_allclose(psi_out_expected, psi_out_got)
|
|
136
|
+
|
|
137
|
+
def test_lazy_ptr_ppt_dot_mat_linear_op(self, psi_abc, psi_ab_mat):
|
|
138
|
+
rho_ab = psi_abc.ptr(DIMS, [0, 1])
|
|
139
|
+
rho_ab_pt = partial_transpose(rho_ab, DIMS[:-1])
|
|
140
|
+
psi_out_expected = rho_ab_pt @ psi_ab_mat
|
|
141
|
+
lo = lazy_ptr_ppt_linop(psi_abc, DIMS, 0, 1)
|
|
142
|
+
psi_out_got = lo @ psi_ab_mat
|
|
143
|
+
assert_allclose(psi_out_expected, psi_out_got)
|
|
144
|
+
|
|
145
|
+
def test_lazy_ptr_ppt_dot_manybody_linear_op(self, psi_mb_abc, psi_mb_ab):
|
|
146
|
+
sysa = [0, 1, 7, 8]
|
|
147
|
+
sysb = [2, 3, 9]
|
|
148
|
+
rho_ab = psi_mb_abc.ptr(DIMS_MB, sysa + sysb)
|
|
149
|
+
rho_ab = partial_transpose(rho_ab, [2] * 7, sysa=(0, 1, 4, 5))
|
|
150
|
+
psi_out_expected = rho_ab @ psi_mb_ab
|
|
151
|
+
lo = lazy_ptr_ppt_linop(psi_mb_abc, DIMS_MB, sysa, sysb)
|
|
152
|
+
assert hasattr(lo, "H")
|
|
153
|
+
assert lo.dtype == complex
|
|
154
|
+
assert lo.shape == (128, 128)
|
|
155
|
+
psi_out_got = lo.dot(psi_mb_ab)
|
|
156
|
+
assert_allclose(psi_out_expected, psi_out_got)
|
|
157
|
+
|
|
158
|
+
def test_lazy_ptr_ppt_dot_mat_manybody_linear_op(
|
|
159
|
+
self, psi_mb_abc, psi_mb_ab_mat
|
|
160
|
+
):
|
|
161
|
+
sysa = [0, 1, 7, 8]
|
|
162
|
+
sysb = [2, 3, 9]
|
|
163
|
+
rho_ab = psi_mb_abc.ptr(DIMS_MB, sysa + sysb)
|
|
164
|
+
rho_ab = partial_transpose(rho_ab, [2] * 7, sysa=(0, 1, 4, 5))
|
|
165
|
+
psi_out_expected = rho_ab @ psi_mb_ab_mat
|
|
166
|
+
lo = lazy_ptr_ppt_linop(psi_mb_abc, DIMS_MB, sysa, sysb)
|
|
167
|
+
psi_out_got = lo.dot(psi_mb_ab_mat)
|
|
168
|
+
assert psi_out_got.shape[1] > 1
|
|
169
|
+
assert_allclose(psi_out_expected, psi_out_got)
|
|
170
|
+
|
|
171
|
+
|
|
172
|
+
# --------------------- Test lanczos spectral functions --------------------- #
|
|
173
|
+
|
|
174
|
+
|
|
175
|
+
def np_sqrt(x):
|
|
176
|
+
out = np.empty_like(x)
|
|
177
|
+
mtz = x > 0
|
|
178
|
+
out[~mtz] = 0.0
|
|
179
|
+
out[mtz] = np.sqrt(x[mtz])
|
|
180
|
+
return out
|
|
181
|
+
|
|
182
|
+
|
|
183
|
+
def np_xlogx(x):
|
|
184
|
+
out = np.empty_like(x)
|
|
185
|
+
mtz = x > 0
|
|
186
|
+
out[~mtz] = 0.0
|
|
187
|
+
out[mtz] = x[mtz] * np.log2(x[mtz])
|
|
188
|
+
return out
|
|
189
|
+
|
|
190
|
+
|
|
191
|
+
class TestLanczosApprox:
|
|
192
|
+
@pytest.mark.parametrize("bsz", [1, 2, 5])
|
|
193
|
+
def test_construct_lanczos_tridiag(self, bsz):
|
|
194
|
+
a = rand_herm(2**5)
|
|
195
|
+
alpha, beta, scaling = last(
|
|
196
|
+
construct_lanczos_tridiag(a, bsz=bsz, K=20)
|
|
197
|
+
)
|
|
198
|
+
assert alpha.shape == (20,)
|
|
199
|
+
assert beta.shape == (20,)
|
|
200
|
+
|
|
201
|
+
el, ev = lanczos_tridiag_eig(alpha, beta)
|
|
202
|
+
assert el.shape == (20,)
|
|
203
|
+
assert el.dtype == float
|
|
204
|
+
assert ev.shape == (20, 20)
|
|
205
|
+
assert ev.dtype == float
|
|
206
|
+
|
|
207
|
+
@pytest.mark.parametrize("bsz", [1, 2, 5])
|
|
208
|
+
def test_construct_lanczos_tridiag_beta_breakdown(self, bsz):
|
|
209
|
+
a = rand_herm(8)
|
|
210
|
+
alpha, beta, scaling = last(construct_lanczos_tridiag(a, bsz=bsz, K=9))
|
|
211
|
+
assert alpha.shape == (8,)
|
|
212
|
+
assert beta.shape == (8,)
|
|
213
|
+
|
|
214
|
+
el, ev = lanczos_tridiag_eig(alpha, beta)
|
|
215
|
+
assert el.shape == (8,)
|
|
216
|
+
assert el.dtype == float
|
|
217
|
+
assert ev.shape == (8, 8)
|
|
218
|
+
assert ev.dtype == float
|
|
219
|
+
|
|
220
|
+
@pytest.mark.parametrize("mpi", MPI_PARALLEL)
|
|
221
|
+
@pytest.mark.parametrize("bsz", [1, 2, 5])
|
|
222
|
+
@pytest.mark.parametrize(
|
|
223
|
+
"fn_matrix_rtol",
|
|
224
|
+
[
|
|
225
|
+
(np.abs, rand_herm, 1e-1),
|
|
226
|
+
(np.sqrt, rand_pos, 1e-1),
|
|
227
|
+
(np.log1p, rand_pos, 2e-1),
|
|
228
|
+
(np.exp, rand_herm, 1e-1),
|
|
229
|
+
],
|
|
230
|
+
)
|
|
231
|
+
def test_approx_spectral_function(self, fn_matrix_rtol, bsz, mpi):
|
|
232
|
+
fn, matrix, rtol = fn_matrix_rtol
|
|
233
|
+
a = matrix(2**7)
|
|
234
|
+
pos = fn == np.sqrt
|
|
235
|
+
actual_x = sum(fn(eigvalsh(a)))
|
|
236
|
+
approx_x = approx_spectral_function(
|
|
237
|
+
a, fn, mpi=mpi, pos=pos, bsz=bsz, verbosity=2
|
|
238
|
+
)
|
|
239
|
+
assert_allclose(actual_x, approx_x, rtol=rtol)
|
|
240
|
+
|
|
241
|
+
@pytest.mark.parametrize("bsz", [1, 2, 5])
|
|
242
|
+
@pytest.mark.parametrize("dist", ["gaussian", "phase", "rademacher"])
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243
|
+
@pytest.mark.parametrize(
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244
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+
"fn_matrix_rtol",
|
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245
|
+
[
|
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246
|
+
(np.abs, rand_herm, 2e-1),
|
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247
|
+
(np.sqrt, rand_pos, 2e-1),
|
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248
|
+
(np.log1p, rand_pos, 3e-1),
|
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249
|
+
(np.exp, rand_herm, 2e-1),
|
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250
|
+
],
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251
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+
)
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252
|
+
def test_approx_spectral_function_with_v0(self, dist, fn_matrix_rtol, bsz):
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253
|
+
fn, matrix, rtol = fn_matrix_rtol
|
|
254
|
+
a = matrix(2**7)
|
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255
|
+
actual_x = sum(fn(eigvalsh(a)))
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256
|
+
# check un-normalized state work properly
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257
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+
v0 = neel_state(7) + neel_state(7, down_first=True)
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258
|
+
v0 = v0.toarray().reshape(-1)
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259
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+
pos = fn == np.sqrt
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260
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+
v0_opts = {"dist": dist, "orthog": True}
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|
261
|
+
approx_x = approx_spectral_function(
|
|
262
|
+
a, fn, v0=v0, pos=pos, bsz=bsz, K=20, verbosity=2, v0_opts=v0_opts
|
|
263
|
+
)
|
|
264
|
+
assert_allclose(actual_x, approx_x, rtol=rtol)
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|
265
|
+
|
|
266
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+
@pytest.mark.parametrize("bsz", [1, 2, 5])
|
|
267
|
+
@pytest.mark.parametrize(
|
|
268
|
+
"fn_approx_rtol",
|
|
269
|
+
[
|
|
270
|
+
(np_sqrt, tr_sqrt_approx, 0.3),
|
|
271
|
+
(np.exp, tr_exp_approx, 0.03),
|
|
272
|
+
(np_xlogx, tr_xlogx_approx, 0.3),
|
|
273
|
+
],
|
|
274
|
+
)
|
|
275
|
+
def test_approx_spectral_function_ptr_lin_op(
|
|
276
|
+
self, fn_approx_rtol, psi_abc, psi_ab, bsz
|
|
277
|
+
):
|
|
278
|
+
fn, approx, rtol = fn_approx_rtol
|
|
279
|
+
sysa = [0, 1]
|
|
280
|
+
rho_ab = psi_abc.ptr(DIMS, sysa)
|
|
281
|
+
actual_x = sum(fn(eigvalsh(rho_ab)))
|
|
282
|
+
lo = lazy_ptr_linop(psi_abc, DIMS, sysa)
|
|
283
|
+
approx_x = approx(lo, R=50, bsz=bsz, verbosity=2)
|
|
284
|
+
assert_allclose(actual_x, approx_x, rtol=rtol)
|
|
285
|
+
|
|
286
|
+
@pytest.mark.parametrize("bsz", [1, 2, 5])
|
|
287
|
+
@pytest.mark.parametrize(
|
|
288
|
+
"fn_approx_rtol",
|
|
289
|
+
[(np.exp, tr_exp_approx, 5e-2), (np.abs, tr_abs_approx, 1e-1)],
|
|
290
|
+
)
|
|
291
|
+
def test_approx_spectral_function_ptr_ppt_lin_op(
|
|
292
|
+
self, fn_approx_rtol, psi_abc, psi_ab, bsz
|
|
293
|
+
):
|
|
294
|
+
fn, approx, rtol = fn_approx_rtol
|
|
295
|
+
rho_ab_ppt = partial_transpose(psi_abc.ptr(DIMS, [0, 1]), DIMS[:-1], 0)
|
|
296
|
+
actual_x = sum(fn(eigvalsh(rho_ab_ppt)))
|
|
297
|
+
lo = lazy_ptr_ppt_linop(psi_abc, DIMS, sysa=0, sysb=1)
|
|
298
|
+
approx_x = approx_spectral_function(lo, fn, K=20, R=20, bsz=bsz)
|
|
299
|
+
assert_allclose(actual_x, approx_x, rtol=rtol)
|
|
300
|
+
|
|
301
|
+
@pytest.mark.parametrize("bsz", [1, 2, 5])
|
|
302
|
+
def test_approx_spectral_subspaces_with_heis_partition(self, bsz):
|
|
303
|
+
h = ham_heis(10, sparse=True)
|
|
304
|
+
beta = 0.01
|
|
305
|
+
actual_Z = sum(np.exp(-beta * eigvalsh(h.toarray())))
|
|
306
|
+
approx_Z = tr_exp_approx(-beta * h, bsz=bsz)
|
|
307
|
+
assert_allclose(actual_Z, approx_Z, rtol=3e-2)
|
|
308
|
+
|
|
309
|
+
def test_approx_spectral_plot(self):
|
|
310
|
+
import matplotlib
|
|
311
|
+
|
|
312
|
+
matplotlib.use("Template")
|
|
313
|
+
X = rand_herm(1000, sparse=True)
|
|
314
|
+
approx_spectral_function(X, lambda x: abs(x), plot=True)
|
|
315
|
+
|
|
316
|
+
|
|
317
|
+
# ------------------------ Test specific quantities ------------------------- #
|
|
318
|
+
|
|
319
|
+
|
|
320
|
+
class TestSpecificApproxQuantities:
|
|
321
|
+
@pytest.mark.parametrize("bsz", [1, 2, 5])
|
|
322
|
+
def test_entropy_approx_simple(self, psi_abc, bsz):
|
|
323
|
+
np.random.seed(42)
|
|
324
|
+
rho_ab = psi_abc.ptr(DIMS, [0, 1])
|
|
325
|
+
actual_e = entropy(rho_ab)
|
|
326
|
+
approx_e = entropy_subsys_approx(psi_abc, DIMS, [0, 1], bsz=bsz, R=20)
|
|
327
|
+
assert_allclose(actual_e, approx_e, rtol=2e-1)
|
|
328
|
+
|
|
329
|
+
@pytest.mark.parametrize("bsz", [1, 2, 5])
|
|
330
|
+
def test_entropy_approx_many_body(self, psi_mb_abc, bsz):
|
|
331
|
+
rho_ab = psi_mb_abc.ptr(DIMS_MB, [0, 1, 7, 8, 2, 3, 9])
|
|
332
|
+
actual_e = entropy(rho_ab)
|
|
333
|
+
approx_e = entropy_subsys_approx(
|
|
334
|
+
psi_mb_abc, DIMS_MB, [0, 1, 7, 8, 2, 3, 9], bsz=bsz
|
|
335
|
+
)
|
|
336
|
+
assert_allclose(actual_e, approx_e, rtol=2e-1)
|
|
337
|
+
|
|
338
|
+
@pytest.mark.parametrize("bsz", [1, 2, 5])
|
|
339
|
+
def test_logneg_approx_simple(self, psi_abc, bsz):
|
|
340
|
+
rho_ab = psi_abc.ptr(DIMS, [0, 1])
|
|
341
|
+
actual_ln = logneg(rho_ab, DIMS[:-1], 0)
|
|
342
|
+
approx_ln = logneg_subsys_approx(psi_abc, DIMS, 0, 1, bsz=bsz)
|
|
343
|
+
assert_allclose(actual_ln, approx_ln, rtol=2e-1)
|
|
344
|
+
|
|
345
|
+
@pytest.mark.parametrize("bsz", [1, 2, 5])
|
|
346
|
+
def test_logneg_approx_many_body(self, psi_mb_abc, bsz):
|
|
347
|
+
sysa = [0, 1, 7, 8]
|
|
348
|
+
sysb = [2, 3, 9]
|
|
349
|
+
rho_ab = psi_mb_abc.ptr(DIMS_MB, sysa + sysb)
|
|
350
|
+
actual_ln = logneg(rho_ab, [2] * 7, sysa=(0, 1, 4, 5))
|
|
351
|
+
approx_ln = logneg_subsys_approx(
|
|
352
|
+
psi_mb_abc, DIMS_MB, sysa=sysa, sysb=sysb, bsz=bsz
|
|
353
|
+
)
|
|
354
|
+
assert_allclose(actual_ln, approx_ln, rtol=1e-1)
|
|
355
|
+
|
|
356
|
+
@pytest.mark.parametrize("bsz", [1, 2, 5])
|
|
357
|
+
def test_negativity_approx_simple(self, psi_abc, bsz):
|
|
358
|
+
rho_ab = psi_abc.ptr(DIMS, [0, 1])
|
|
359
|
+
actual_neg = negativity(rho_ab, DIMS[:-1], 0)
|
|
360
|
+
approx_neg = negativity_subsys_approx(psi_abc, DIMS, 0, 1, bsz=bsz)
|
|
361
|
+
assert_allclose(actual_neg, approx_neg, rtol=2e-1)
|
|
362
|
+
|
|
363
|
+
@pytest.mark.parametrize("bsz", [1, 2, 5])
|
|
364
|
+
def test_norm_fro_approx(self, bsz):
|
|
365
|
+
A = rand_herm(2**5)
|
|
366
|
+
actual_norm_fro = norm_fro(A)
|
|
367
|
+
approx_norm_fro = norm_fro_approx(A, tol=1e-2, bsz=bsz)
|
|
368
|
+
assert_allclose(actual_norm_fro, approx_norm_fro, rtol=1e-1)
|