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examples\gto\20-soc_ao_integrals.py
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examples\gto\21-concatenate_molecules.py
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pyscf\pbc\scf\chkfile.py
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examples\cc\41-ccsd_custom_hamiltonian_noscf.py
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examples\cc\43-ccd.py
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examples\tddft\22-density.py
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pyscf\lib\gto\fastexp.c
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pyscf\lib\gto\grid_ao_drv.h
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examples\tools\11-davidson_eigh.py
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examples\local_orb\40-hubbard_model_PM_localization.py
1 1 -
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pyscf\pbc\mpicc\__init__.py
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pyscf\pbc\dft\test\test_kukspu.py
1 1 -
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pyscf\pbc\dft\test\test_krkspu.py
1 1 -
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pyscf\pbc\dft\test\test_gamma_vs_ks.py
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pyscf\pbc\df\test\test_incore.py
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pyscf\lo\test\test_iao.py
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examples\dft\24-define_xc_functional.py
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pyscf\mcscf\test\test_avas.py
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pyscf\df\__init__.py
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examples\pbc\06-input_ke_cutoff.py
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