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pyscf
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Name
Complexity
Churn
Issues
A
pyscf\solvent\ddcosmo.py
84 25 -
A
pyscf\scf\uhf_symm.py
82 10 1
A
pyscf\fci\direct_nosym.py
19 4 -
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pyscf\sgx\sgx.py
31 20 -
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examples\pbc\41-pbc1d_real_space_sum.py
6 2 -
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pyscf\sgx\test\test_sgx.py
1 1 -
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pyscf\fci\direct_spin0_symm.py
50 7 -
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pyscf\solvent\__init__.py
18 8 -
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examples\grad\10-excited_state_cisd_grad.py
 2 -
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pyscf\solvent\test\test_ddcosmo_tdscf_grad.py
10 1 -
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pyscf\solvent\test\test_ddcosmo_grad.py
50 4 -
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.codecov.yml
 2 -
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.github\workflows\ci_macos\deps_apt.sh
 2 -
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conda\build.sh
 3 -
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examples\1-advanced\018-dmrg_casscf_for_feporph.py
3 1 -
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examples\ao2mo\01-outcore.py
 1 -
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examples\fci\33-rotate_wfn.py
 2 -
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examples\pbc\05-input_pp.py
 1 -
A
pyscf\df\__init__.py
1 3 -
A
pyscf\pbc\lib\chkfile.py
3 4 -