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pyscf
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A
pyscf\lo\test\test_vvo.py
3 1 -
A
pyscf\agf2\test\test_c_agf2.py
6 1 -
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pyscf\mcscf\PiOS.py
65 5 -
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.github\workflows\release_tag.yml
 2 -
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pyscf\agf2\test\test_dfuagf2_beh.py
7 1 -
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examples\mcscf\16-density_fitting.py
 1 -
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pyscf\mcscf\chkfile.py
12 3 -
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pyscf\agf2\test\test_ragf2_slow_h2o.py
7 1 -
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pyscf\cc\qcisd_t_slow.py
10 1 -
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examples\mcscf\43-dmet_cas.py
 1 -
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pyscf\cc\rccsd.py
29 8 -
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pyscf\cc\rccsd_lambda.py
4 5 -
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examples\fci\01-given_h1e_h2e.py
 1 -
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examples\mcscf\44-mcscf_active_space_hamiltonian.py
 1 -
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pyscf\cc\rccsd_slow.py
131 10 -
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pyscf\cc\rintermediates.py
33 5 -
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examples\mcscf\50-casscf_then_dmrgscf.py
 1 -
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pyscf\cc\test\test_2e.py
3 1 -
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pyscf\cc\test\test_addons.py
4 1 -
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examples\agf2\07-scs_agf2.py
 1 -