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pyscf
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Issues
A
pyscf\ao2mo\test\test_outcore.py
9 1 -
A
pyscf\mp\mp2f12_slow.py
5 6 -
A
examples\dft\30-ao_value_on_grid.py
 1 -
A
pyscf\mp\test\test_dfump2_native.py
37 1 -
A
pyscf\ao2mo\test\test_semi_incore.py
7 5 -
A
pyscf\mp\test\test_gmp2.py
9 6 -
A
examples\mcscf\24-callback.py
2 2 -
A
pyscf\cc\_ccsd.py
2 2 -
A
pyscf\mrpt\__init__.py
 1 -
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examples\agf2\03-photoemission_spectra.py
 1 -
A
pyscf\cc\test\test_addons.py
4 1 -
A
examples\agf2\07-scs_agf2.py
 1 -
A
examples\fci\02-selected_ci.py
 1 -
A
examples\mcscf\50-casscf_with_selected_ci.py
 1 -
A
pyscf\cc\test\test_bz.py
2 1 -
A
pyscf\cc\test\test_ccsd_lambda.py
3 2 -
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examples\mcscf\50-cornell_shci_casscf.py
 1 -
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pyscf\cc\test\test_ccsd_t.py
11 3 -
A
pyscf\cc\test\test_dfccsd.py
16 6 -
A
examples\fci\10-spin.py
 2 -