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pyscf
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A
examples\mcscf\16-density_fitting.py
 1 -
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pyscf\agf2\test\test_ragf2_h2o.py
11 2 -
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pyscf\agf2\test\test_ragf2_slow_h2o.py
7 1 -
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examples\dft\12-camb3lyp.py
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examples\mcscf\17-approx_orbital_hessian.py
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pyscf\agf2\test\test_uagf2_beh.py
10 2 -
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examples\mcscf\18-o2_spatial_spin_symmetry.py
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pyscf\agf2\test\test_uagf2_slow_beh.py
6 1 -
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pyscf\agf2\uagf2_slow.py
13 4 -
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examples\agf2\01-simple_uagf2.py
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examples\dft\13-rsh_dft.py
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examples\mcscf\18-spatial_spin_symmetry.py
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pyscf\ao2mo\__init__.py
14 3 -
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examples\mcscf\19-frozen_orbital.py
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pyscf\ao2mo\_ao2mo.py
31 4 -
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examples\dft\24-custom_xc_functional.py
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examples\mcscf\20-change_symmetry.py
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pyscf\ao2mo\incore.py
23 7 -
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examples\mcscf\21-active_space_symmetry.py
 2 -
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pyscf\ao2mo\test\bz_nr.py
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