├── .gitattributes ├── .github └── workflows │ ├── ci.yml │ └── publish_pypi.yml ├── .gitignore ├── LICENSE ├── README.md ├── README_CN.md ├── apt.txt ├── conftest.py ├── docs ├── Makefile └── source │ ├── advanced.rst │ ├── api │ ├── hea.rst │ ├── kupccgsd.rst │ ├── puccd.rst │ ├── ucc.rst │ └── uccsd.rst │ ├── conf.py │ ├── faq.rst │ ├── index.rst │ ├── modules.rst │ ├── quickstart.rst │ ├── statics │ ├── configuration.png │ ├── excitation.png │ ├── favicon.ico │ ├── favicon_benzene.ico │ ├── logov0.png │ ├── logov0.svg │ ├── vbe_gs_Fig1.svg │ ├── vbe_gs_Fig2.svg │ ├── vbe_td_Fig1.svg │ └── vbe_td_Fig2.svg │ ├── tutorial_jupyter │ ├── adapt_vqe.ipynb │ ├── engine_benchmark.ipynb │ ├── h2o_pes.ipynb │ ├── hubbard_model.ipynb │ ├── marcus.ipynb │ ├── mpl_config.py │ ├── noisy_simulation.ipynb │ ├── sbm_dynamics.ipynb │ ├── ucc_functions.ipynb │ ├── vbe_tutorial_groundstate.ipynb │ └── vbe_tutorial_td.ipynb │ └── tutorials.rst ├── example ├── README.md ├── custom_excitation.py ├── hea_beh2.py ├── hea_force.py ├── hea_geom_opt.py ├── hea_lih.py ├── hea_symm.py ├── mr_uccsd.py ├── noisy_circuit.py ├── print_circuit.py ├── pyrazine_spectra.py ├── pyscf_compatibility.py ├── run.sh ├── sbm_dynamics.py ├── simple_kupccgsd.py ├── simple_uccsd.py ├── switch_backend.py ├── ucc_classes.py ├── vbe_td.py ├── vbe_ti.py └── water_pes.py ├── pyproject.toml ├── requirements-dev.txt ├── requirements.txt ├── setup.py ├── tencirchem ├── __init__.py ├── applications │ ├── __init__.py │ └── vbe_lib.py ├── constants.py ├── dynamic │ ├── __init__.py │ ├── model │ │ ├── __init__.py │ │ ├── pyrazine.py │ │ └── sbm.py │ ├── time_derivative.py │ ├── time_evolution.py │ └── transform.py ├── molecule.py ├── static │ ├── __init__.py │ ├── ci_utils.py │ ├── engine_hea.py │ ├── engine_ucc.py │ ├── evolve_civector.py │ ├── evolve_pyscf.py │ ├── evolve_statevector.py │ ├── evolve_tensornetwork.py │ ├── hamiltonian.py │ ├── hea.py │ ├── kupccgsd.py │ ├── puccd.py │ ├── ucc.py │ └── uccsd.py └── utils │ ├── __init__.py │ ├── backend.py │ ├── circuit.py │ ├── misc.py │ └── optimizer.py └── tests ├── __init__.py ├── dynamics ├── __init__.py ├── test_dynamics.py └── test_hamiltonian.py ├── static ├── __init__.py ├── test_engine.py ├── test_hamiltonian.py ├── test_hea.py ├── test_molecule.py ├── test_optimizer.py ├── test_puccd.py └── test_static.py └── test_misc.py /.gitattributes: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tencent-quantum-lab/TenCirChem/HEAD/.gitattributes -------------------------------------------------------------------------------- /.github/workflows/ci.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tencent-quantum-lab/TenCirChem/HEAD/.github/workflows/ci.yml -------------------------------------------------------------------------------- /.github/workflows/publish_pypi.yml: 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