├── .coveragerc ├── .github ├── SECURITY.md └── workflows │ ├── ossf-scorecard.yaml │ └── pythonpackage.yml ├── .gitignore ├── CODE_OF_CONDUCT.md ├── CONTRIBUTING.md ├── LICENSE ├── MANIFEST.in ├── README.md ├── SUPPORT.md ├── dev ├── check │ ├── format │ ├── mypy │ └── pylint ├── conf │ ├── .pylintrc │ ├── mypy.ini │ └── pip-list-dev-tools.txt └── docs │ └── build_api_docs.py ├── docs └── tutorials │ └── hamiltonian_time_evolution_and_expectation_estimation.ipynb ├── profiling ├── Hring_12.hdf5 ├── generate_H_ring.py ├── profile_3_body.py ├── profile_H_ring.py ├── profile_from_to_cirq.py ├── profile_init_wav.py └── profiling.py ├── pyproject.toml ├── requirements.txt ├── rtd_docs ├── Makefile ├── algorithm.rst ├── bitstring.rst ├── cirq_utils.rst ├── conf.py ├── examples.rst ├── fci_graph.rst ├── fci_graph_set.rst ├── fqe.rst ├── fqe_control.rst ├── fqe_data.rst ├── fqe_data_set.rst ├── fqe_decorators.rst ├── fqe_ops.rst ├── hamiltonian.rst ├── index.rst ├── introduction.rst ├── openfermion_utils.rst ├── run.sh ├── tensor.rst ├── transform.rst ├── wavefunction.rst └── wick.rst ├── setup.py ├── src └── fqe │ ├── __init__.py │ ├── _fqe_control.py │ ├── _version.py │ ├── algorithm │ ├── __init__.py │ ├── adapt_vqe.py │ ├── algorithm_util.py │ ├── brillouin_calculator.py │ ├── brillouin_condition_solver.py │ ├── davidson.py │ ├── generalized_doubles_factorization.py │ ├── low_rank.py │ ├── low_rank_api.py │ └── vbc.py │ ├── bitstring.py │ ├── cirq_utils.py │ ├── fci_graph.py │ ├── fci_graph_set.py │ ├── fqe_data.py │ ├── fqe_data_set.py │ ├── fqe_decorators.py │ ├── fqe_ops │ ├── __init__.py │ ├── fqe_operator.py │ ├── fqe_ops.py │ └── fqe_ops_utils.py │ ├── hamiltonians │ ├── __init__.py │ ├── diagonal_coulomb.py │ ├── diagonal_hamiltonian.py │ ├── general_hamiltonian.py │ ├── gso_hamiltonian.py │ ├── hamiltonian.py │ ├── hamiltonian_utils.py │ ├── restricted_hamiltonian.py │ ├── sparse_hamiltonian.py │ └── sso_hamiltonian.py │ ├── lib │ ├── __init__.py │ ├── _blas_helpers.h │ ├── _fqe_data.pyx │ ├── _linalg.pyx │ ├── binom.c │ ├── binom.h │ ├── bitstring.c │ ├── bitstring.h │ ├── bitstring.py │ ├── blas_helpers.pxi │ ├── cirq_utils.c │ ├── cirq_utils.h │ ├── cirq_utils.py │ ├── fci_graph.c │ ├── fci_graph.h │ ├── fci_graph.py │ ├── fqe_data.c │ ├── fqe_data.h │ ├── linalg.py │ ├── macros.c │ ├── macros.h │ ├── mylapack.c │ ├── mylapack.h │ ├── wick.c │ ├── wick.h │ └── wick.py │ ├── openfermion_utils.py │ ├── settings.py │ ├── tensor │ ├── __init__.py │ └── tensor_utils.py │ ├── transform.py │ ├── util.py │ ├── wavefunction.py │ └── wick.py └── tests ├── __init__.py ├── _fqe_control_test.py ├── adapt_vqe_test.py ├── algorithm_util_test.py ├── base.py ├── bitstring_test.py ├── brillouin_calculator_test.py ├── brillouin_condition_solver_test.py ├── cirq_utils_test.py ├── comparisons.py ├── conftest.py ├── davidson_test.py ├── diagonal_coulomb_test.py ├── diagonal_hamiltonian_test.py ├── evolution_test.py ├── fci_graph_set_test.py ├── fci_graph_test.py ├── fqe_data_set_test.py ├── fqe_data_test.py ├── fqe_decorators_test.py ├── fqe_operator_test.py ├── fqe_ops_test.py ├── fqe_ops_utils_test.py ├── general_hamiltonian_test.py ├── generalized_doubles_factorization_test.py ├── gso_hamiltonian_test.py ├── hamiltonian_test.py ├── hamiltonian_utils_test.py ├── linalg_test.py ├── low_rank_api_test.py ├── low_rank_test.py ├── openfermion_utils_test.py ├── property_test.py ├── restricted_hamiltonian_test.py ├── sparse_hamiltonian_test.py ├── sso_hamiltonian_test.py ├── tensor_utils_test.py ├── transform_test.py ├── unittest_data ├── H1-Li1_sto-3g_singlet_1.45.hdf5 ├── H4_sto-3g_singlet.hdf5 ├── __init__.py ├── build_hamiltonian.py ├── build_lih_data.py ├── build_nh_data.py ├── build_nh_data_test.py ├── build_wfn.py ├── fci_graph │ ├── 000307.pickle │ ├── 020006.pickle │ ├── 040308.pickle │ ├── 040406.pickle │ └── generate_data.py ├── fci_graph_data.py ├── fci_graph_set │ ├── generate_data.py │ ├── set02040308.pickle │ └── set02040406.pickle ├── fci_graph_set_loader.py ├── fqe_data │ ├── ci010102.npy │ ├── ci010102_1.npy │ ├── ci010102_12.npy │ ├── ci010102_123.npy │ ├── ci010102_1234.npy │ ├── ci010102_2.npy │ ├── ci010102_3.npy │ ├── ci010102_4.npy │ ├── ci020104.npy │ ├── ci020104_1.npy │ ├── ci020104_12.npy │ ├── ci020104_123.npy │ ├── ci020104_1234.npy │ ├── ci020104_2.npy │ ├── ci020104_3.npy │ ├── ci020104_4.npy │ ├── ci020104_dc.npy │ ├── ci020306.npy │ ├── ci020306_1.npy │ ├── ci020306_12.npy │ ├── ci020306_2.npy │ ├── ci020306_dc.npy │ ├── ci020306indv1_2__.npy │ ├── cr010102.npy │ ├── cr010102_1.npy │ ├── cr010102_12.npy │ ├── cr010102_123.npy │ ├── cr010102_1234.npy │ ├── cr010102_2.npy │ ├── cr010102_3.npy │ ├── cr010102_4.npy │ ├── cr020104.npy │ ├── cr020104_1.npy │ ├── cr020104_12.npy │ ├── cr020104_123.npy │ ├── cr020104_1234.npy │ ├── cr020104_2.npy │ ├── cr020104_3.npy │ ├── cr020104_4.npy │ ├── cr020104_dc.npy │ ├── cr020306.npy │ ├── cr020306_1.npy │ ├── cr020306_12.npy │ ├── cr020306_2.npy │ ├── cr020306_dc.npy │ ├── cr020306indv1_2__.npy │ ├── di1020104.npy │ ├── di2020104.npy │ ├── di3020104.npy │ ├── di4020104.npy │ ├── dmat020104.npy │ ├── dmat020306.npy │ ├── dr1020104.npy │ ├── dr2020104.npy │ ├── dr3020104.npy │ ├── dr4020104.npy │ ├── generate_data.py │ ├── h1010102.npy │ ├── h1020104.npy │ ├── h1020306.npy │ ├── h2010102.npy │ ├── h2020104.npy │ ├── h2020306.npy │ ├── h3010102.npy │ ├── h3020104.npy │ ├── h4010102.npy │ └── h4020104.npy ├── fqe_data_loader.py ├── fqe_data_set │ ├── generate_data.py │ └── set0202 │ │ ├── ci000202.npy │ │ ├── ci000202_1.npy │ │ ├── ci000202_12.npy │ │ ├── ci000202_123.npy │ │ ├── ci000202_1234.npy │ │ ├── ci000202_2.npy │ │ ├── ci000202_3.npy │ │ ├── ci000202_4.npy │ │ ├── ci000202ievo0_1_0_0.npy │ │ ├── ci000202indv0_1_0_0.npy │ │ ├── ci010102.npy │ │ ├── ci010102_1.npy │ │ ├── ci010102_12.npy │ │ ├── ci010102_123.npy │ │ ├── ci010102_1234.npy │ │ ├── ci010102_2.npy │ │ ├── ci010102_3.npy │ │ ├── ci010102_4.npy │ │ ├── ci010102ievo0_1_0_0.npy │ │ ├── ci010102indv0_1_0_0.npy │ │ ├── ci020002.npy │ │ ├── ci020002_1.npy │ │ ├── ci020002_12.npy │ │ ├── ci020002_123.npy │ │ ├── ci020002_1234.npy │ │ ├── ci020002_2.npy │ │ ├── ci020002_3.npy │ │ ├── ci020002_4.npy │ │ ├── ci020002ievo0_1_0_0.npy │ │ ├── ci020002indv0_1_0_0.npy │ │ ├── cr000202.npy │ │ ├── cr000202_1.npy │ │ ├── cr000202_12.npy │ │ ├── cr000202_123.npy │ │ ├── cr000202_1234.npy │ │ ├── cr000202_2.npy │ │ ├── cr000202_3.npy │ │ ├── cr000202_4.npy │ │ ├── cr000202ievo0_1_0_0.npy │ │ ├── cr000202indv0_1_0_0.npy │ │ ├── cr010102.npy │ │ ├── cr010102_1.npy │ │ ├── cr010102_12.npy │ │ ├── cr010102_123.npy │ │ ├── cr010102_1234.npy │ │ ├── cr010102_2.npy │ │ ├── cr010102_3.npy │ │ ├── cr010102_4.npy │ │ ├── cr010102ievo0_1_0_0.npy │ │ ├── cr010102indv0_1_0_0.npy │ │ ├── cr020002.npy │ │ ├── cr020002_1.npy │ │ ├── cr020002_12.npy │ │ ├── cr020002_123.npy │ │ ├── cr020002_1234.npy │ │ ├── cr020002_2.npy │ │ ├── cr020002_3.npy │ │ ├── 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