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pyscf
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A
examples\pbc\32-graphene.py
 4 1
A
examples\pbc\33-soc_integrals.py
14 1 -
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examples\pbc\34-pm_localization.py
 1 -
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examples\pbc\35-gaussian_density_fit.py
 2 1
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examples\pbc\35-range_separated_density_fit.py
 1 1
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examples\pbc\36-ccsd_level_shift.py
1 1 -
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examples\pbc\40-customize_kpts_hamiltonian.py
10 2 1
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examples\pbc\41-pbc1d_real_space_sum.py
6 2 -
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examples\pbc\42-k2gamma.py
 5 1
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examples\pbc\44-k_point_eom_ccsd_ghf.py
 1 -
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examples\pbc\46-k_point_eom_ccsd_rhf.py
 1 -
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examples\pbc\47-pywannier90.py
 1 -
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examples\qmmm\00-hf.py
 1 -
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examples\qmmm\01-dft.py
 1 1
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examples\qmmm\02-mcscf.py
 3 -
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examples\qmmm\03-ccsd.py
 2 1
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examples\qmmm\04-cisd.py
 1 1
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examples\qmmm\05-mp2.py
 1 1
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examples\qmmm\06-tddft.py
 1 1
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examples\qmmm\10-x2c.py
 1 -