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pyscf
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Issues
A
pyscf\eph\uhf.py
8 3 -
A
examples\grad\05-ccsd_grad.py
 2 -
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pyscf\cc\_ccsd.py
2 2 -
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examples\pbc\36-ccsd_level_shift.py
1 1 -
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pyscf\fci\cistring.py
77 5 -
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.github\workflows\ci_macos\python_deps.sh
 3 -
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examples\pbc\41-pbc1d_real_space_sum.py
6 2 -
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examples\agf2\03-photoemission_spectra.py
 1 -
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examples\dft\31-xc_value_on_grid.py
 2 -
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examples\mcscf\30-hf_scan\hf-scan-triplet.py
2 1 -
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pyscf\cc\addons.py
21 3 -
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examples\grad\10-excited_state_cisd_grad.py
 2 -
A
examples\mcscf\30-hf_scan\hf-scan.py
2 1 -
A
pyscf\cc\ccd.py
13 1 -
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pyscf\cc\ccsd_lambda.py
24 5 -
A
examples\dft\32-broken_symmetry_dft.py
 1 -
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examples\mcscf\31-cr2_scan\cr2-scan.py
2 1 -
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pyscf\cc\ccsd_rdm.py
31 14 -
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pyscf\cc\ccsd_rdm_slow.py
4 3 -
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examples\mcscf\32-beh2_scan\BeH2-scan.py
2 1 -