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pyscf
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A
examples\symm\33-lz_adaption.py
7 1 -
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examples\tddft\00-simple_tddft.py
 3 -
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examples\tddft\01-nto_analysis.py
 1 -
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examples\tddft\02-tddft_for_camb3lyp.py
 1 -
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examples\tddft\21-matrix_A_B.py
2 1 -
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examples\tddft\22-density.py
1 3 -
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examples\tddft\30-change_xc_grids.py
 2 -
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examples\tddft\31-energy_transfer_coupling_matrix.py
14 3 -
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examples\tools\01-fcidump.py
 2 -
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examples\tools\02-molden.py
 1 -
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examples\tools\03-print_mo_and_dm.py
 1 -
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examples\tools\04-analyze_local_orbitals.py
 1 -
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examples\tools\05-cubegen.py
 2 -
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examples\tools\06-chgcar.py
 1 -
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examples\tools\11-davidson_eigh.py
1 1 -
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examples\tools\12-einsum.py
 2 -
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examples\x2c\02-basis_for_x.py
 1 -
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examples\x2c\03-x2c_ghf.py
 1 -
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examples\x2c\10-picture_change.py
 1 -
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pyscf\__all__.py
 5 -