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A
examples\agf2\02-dfagf2.py
 1 -
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examples\dft\24-define_xc_functional.py
1 1 -
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examples\mcscf\21-nosymhf_then_symcasscf.py
 1 -
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pyscf\ao2mo\test\test_addons.py
7 1 -
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examples\pbc\06-input_ke_cutoff.py
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examples\geomopt\01-geomeTRIC.py
 2 -
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pyscf\ao2mo\test\test_incore.py
4 3 -
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examples\pbc\09-init_from_ase.py
 1 -
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pyscf\df\grad\uhf.py
7 3 -
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examples\ao2mo\04-dirac_hf_mo_integrals.py
 1 -
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examples\mcscf\22-x2c.py
 1 -
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pyscf\ao2mo\test\test_init.py
8 3 -
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pyscf\ao2mo\test\test_outcore.py
9 1 -
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examples\dft\30-ao_value_on_grid.py
 1 -
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examples\mcscf\23-local_spin.py
 1 -
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pyscf\ao2mo\test\test_r_outcore.py
8 2 -
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pyscf\ao2mo\test\test_semi_incore.py
7 5 -
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examples\mcscf\24-callback.py
2 2 -
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pyscf\cc\__init__.py
30 11 -
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pyscf\cc\_ccsd.py
2 2 -