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pyscf
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Issues
A
pyscf\df\test\test_df_grad.py
3 1 -
A
examples\geomopt\11-with_ghost_atom.py
 1 -
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pyscf\df\test\test_df_jk.py
18 3 -
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examples\pbc\22-k_points_mp2.py
 2 -
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pyscf\df\test\test_outcore.py
12 4 -
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examples\ao2mo\11-ump2.py
1 1 -
A
pyscf\ao2mo\test\test_outcore.py
9 1 -
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examples\pbc\23-smearing.py
 2 -
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pyscf\dft\gen_libxc_param.py
 2 -
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examples\geomopt\12-mcscf_excited_states.py
 2 -
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examples\dft\30-ao_value_on_grid.py
 1 -
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examples\mcscf\23-local_spin.py
 1 -
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pyscf\ao2mo\test\test_r_outcore.py
8 2 -
A
pyscf\ao2mo\test\test_semi_incore.py
7 5 -
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examples\mcscf\24-callback.py
2 2 -
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pyscf\cc\__init__.py
30 11 -
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pyscf\cc\_ccsd.py
2 2 -
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examples\agf2\03-photoemission_spectra.py
 1 -
A
examples\dft\31-xc_value_on_grid.py
 2 -
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examples\mcscf\30-hf_scan\hf-scan-triplet.py
2 1 -