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pyscf
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.github\workflows\ci_macos\build_pyscf.sh
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docker\conda-env\Dockerfile
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examples\2-benchmark\ccsd_iteration.py
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docker\pypa-env\build-wheels.sh
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.github\workflows\run_tests.sh
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conda\conda_build_config.yaml
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examples\1-advanced\002-input_script.py
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.github\workflows\ci_macos\python_deps.sh
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examples\1-advanced\031-density.py
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examples\2-benchmark\fock_multigrid.py
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doc_legacy\source\conf.py
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.codecov.yml
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.github\workflows\ci_linux\deps_apt.sh
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examples\2-benchmark\n2.py
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examples\adc\03-closed_shell_different_setup.py
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examples\adc\02-open_shell.py
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examples\2-benchmark\fci_iteration.py
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.github\workflows\ci_linux\build_pyscf.sh
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.github\workflows\ci_macos\deps_apt.sh
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conda\build.sh
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