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pyscf
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Name
Complexity
Churn
Issues
A
pyscf\grad\ucisd.py
2 5 1
A
examples\gto\20-ao_integrals_sph_to_spinor.py
 3 -
A
pyscf\grad\uks.py
28 11 4
A
examples\scf\24-tune_diis.py
 3 -
A
pyscf\gto\__init__.py
 1 -
A
examples\2-benchmark\c60.py
 2 -
A
pyscf\gto\basis\dyall_dz.py
 2 -
A
examples\scf\31-cr_atom_rohf_tune_init_guess.py
 1 1
A
pyscf\gto\basis\dyall_tz.py
 2 -
A
examples\gto\20-soc_ecp.py
 5 -
A
pyscf\gto\test\test_tao.py
10 1 -
A
pyscf\gto\test\test_moleintor.py
34 3 -
A
pyscf\gto\moleintor.py
77 13 -
A
pyscf\gto\eval_gto.py
15 5 -
A
pyscf\gto\basis\parse_ccECP.sh
 2 -
A
pyscf\gto\basis\iglo3.py
 1 1
A
conda\build.sh
 3 -
A
examples\fci\33-rotate_wfn.py
 2 1
A
examples\pbc\05-input_pp.py
 1 1
A
pyscf\df\__init__.py
1 3 -