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pyscf
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A
examples\pbc\23-smearing.py
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pyscf\dft\gen_libxc_param.py
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examples\geomopt\12-mcscf_excited_states.py
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examples\pbc\24-k_points_vs_gamma.py
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pyscf\dft\gen_xcfun_param.py
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conda\conda_build_config.yaml
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examples\1-advanced\031-MEP.py
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examples\ao2mo\20-eri_grad_hess.py
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examples\pbc\25-k_points_mpi_ccsd.py
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examples\pbc\26-linear_dep.py
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examples\pbc\27-multigrid.py
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examples\geomopt\14-with_solvent.py
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examples\pbc\28-charged_system.py
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examples\ao2mo\21-spin_orbit_coupling.py
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examples\pbc\29-eom_ccsd_Ta.py
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examples\pbc\30-ao_integrals.py
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examples\pbc\30-ao_value_on_grid.py
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examples\grad\01-scf_grad.py
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examples\pbc\30-mo_integrals.py
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examples\1-advanced\031-density.py
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