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examples\geomopt\12-mcscf_excited_states.py
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examples\pbc\25-k_points_mpi_ccsd.py
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conda\conda_build_config.yaml
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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\29-eom_ccsd_Ta.py
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examples\ao2mo\21-spin_orbit_coupling.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-overlap_periodic_cell.py
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examples\1-advanced\031-density.py
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examples\ao2mo\00-mo_integrals.py
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examples\fci\31-apply_2nd_quantized_op.py
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examples\mrpt\41-for_state_average.py
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examples\nmr\crco6-nr-msc.py
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examples\fci\32-wfn_overlap.py
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examples\pbc\00-input_cell.py
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examples\pbc\04-input_basis.py
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examples\grad\03-mp2_grad.py
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.codecov.yml
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