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pyscf
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Complexity
Churn
Issues
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\mp\test\test_ump2.py
11 4 -
A
pyscf\cc\_ccsd.py
2 2 -
A
pyscf\mrpt\__init__.py
 1 -
A
examples\agf2\03-photoemission_spectra.py
 1 -
A
pyscf\data\radii.py
 4 -
A
pyscf\cc\ccd.py
13 1 -
A
.codecov.yml
 2 -
A
.github\workflows\ci_linux\build_pyscf.sh
 7 1
A
.github\workflows\ci_macos\deps_apt.sh
 2 -
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conda\build.sh
 3 -
A
examples\1-advanced\018-dmrg_casscf_for_feporph.py
3 1 -
A
examples\ao2mo\01-outcore.py
 1 -
A
examples\fci\33-rotate_wfn.py
 2 -
A
examples\pbc\05-input_pp.py
 1 -