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pyscf
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A
examples\mcscf\70-casscf_optimize_scheduler.py
7 1 -
A
examples\misc\02-chkfile.py
 1 -
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examples\misc\30-macro_call_in_background.py
2 1 -
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examples\mp\00-simple_mp2.py
 1 -
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examples\mp\10-dfmp2.py
 1 -
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examples\mp\11-dfmp2-density.py
 1 -
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examples\mp\12-dfump2-natorbs.py
 1 -
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examples\mp\42-omp2.py
3 1 -
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examples\mpi\00-pbc_df.py
 1 -
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examples\mrpt\02-cr2_nevpt2\cr2-scan.py
2 1 -
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examples\mrpt\41-for_state_average.py
 1 -
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examples\nmr\crco6-nr-msc.py
 1 -
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examples\pbc\00-input_cell.py
 1 -
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examples\pbc\04-input_basis.py
 1 -
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examples\pbc\05-input_pp.py
 1 -
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examples\pbc\06-input_ke_cutoff.py
 1 -
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examples\pbc\09-band_ase.py
 3 -
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examples\pbc\09-init_from_ase.py
 1 -
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examples\pbc\09-talk_to_ase.py
 2 -
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examples\pbc\10-gamma_point_scf.py
 1 -