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A
pyscf\adc\test\test_uadc\test_N2_uadc_ea.py
5 2 -
A
pyscf\lib\test\test_numint_uniform_grid.py
36 2 -
A
examples\df\40-precompute_df_integrals.py
 1 -
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pyscf\lib\test\test_scipy_helper.py
15 1 -
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pyscf\adc\test\test_uadc\test_OH_uadc_ea.py
5 2 -
A
pyscf\lib\vhf\fblas.h
0 1 -
A
examples\mcscf\04-density_matrix.py
 1 -
A
pyscf\lib\vhf\hessian_screen.c
50 5 -
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pyscf\adc\test\test_uadc\test_OH_uadc_outcore.py
4 2 -
A
pyscf\cc\qcisd_slow.py
23 1 -
A
examples\agf2\06-adc2_solver.py
 1 -
A
examples\fci\00-simple_fci.py
 2 -
A
examples\mcscf\43-avas.py
 2 -
A
pyscf\cc\qcisd_t.py
11 2 -
A
pyscf\cc\qcisd_t_slow.py
10 1 -
A
examples\mcscf\43-dmet_cas.py
 1 -
A
pyscf\cc\rccsd.py
29 8 -
A
pyscf\cc\rccsd_lambda.py
4 5 -
A
examples\fci\01-given_h1e_h2e.py
 1 -
A
examples\mcscf\44-mcscf_active_space_hamiltonian.py
 1 -