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pyscf
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A
examples\dft\00-simple_dft.py
 3 1
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examples\dft\02-gks.py
 2 -
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examples\dft\11-grid_scheme.py
 1 1
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examples\dft\12-camb3lyp.py
 2 -
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examples\dft\13-rsh_dft.py
 3 -
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examples\dft\24-custom_xc_functional.py
 5 1
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examples\dft\24-define_xc_functional.py
1 1 1
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examples\dft\30-ao_value_on_grid.py
 1 2
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examples\dft\31-xc_value_on_grid.py
 2 -
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examples\dft\32-broken_symmetry_dft.py
 1 1
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examples\dft\32-xcfun_as_default.py
 3 -
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examples\dft\33-nlc_functionals.py
 1 -
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examples\eph\00-simple_eph.py
 1 -
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examples\eph\01-finite_difference_eph.py
 1 -
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examples\fci\00-simple_fci.py
 2 1
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examples\fci\01-given_h1e_h2e.py
 1 1
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examples\fci\02-selected_ci.py
 1 1
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examples\fci\10-spin.py
 2 1
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examples\fci\11-large_ci.py
 1 -
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examples\fci\12-multiple_roots.py
 3 -