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pyscf
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Grade
Name
Complexity
Churn
Issues
C
pyscf\lib\gto\nr_ecp.c
329 12 6
C
pyscf\pbc\mpicc\kccsd_rhf.py
435 13 10
C
pyscf\gto\mole.py
585 72 6
C
pyscf\lib\vhf\nr_direct_dot.c
734 6 9
B
pyscf\lib\gto\autocode\auto_eval1.c
224 2 7
B
pyscf\lib\dft\numint_uniform_grid.c
381 3 9
B
pyscf\dft\numint.py
240 21 7
A
conda\meta.yaml
 2 -
A
.github\workflows\lint.yml
 1 -
A
doc_legacy\source\nao\examples\calc_polarizability.py
1 1 3
A
doc_legacy\source\nao\examples\create_qmmd.sh
 1 3
A
conda\conda_build_config.yaml
 1 -
A
.github\workflows\ci_macos\python_deps.sh
 3 -
A
doc_legacy\source\conf.py
 1 -
A
.github\workflows\ci_linux\deps_apt.sh
 1 -
A
.github\workflows\ci.yml
 10 -
A
.github\workflows\ci_linux\python_deps.sh
 3 -
A
.github\workflows\release_info.sh
 2 -
A
.github\workflows\release_tag.yml
 2 -
A
.github\workflows\ci_macos\build_pyscf.sh
 3 1