master
pyscf
Repository badge with BPlus rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
examples\dft\00-simple_dft.py
 3 1
A
examples\2-benchmark\n2.py
 4 -
A
doc_legacy\source\nao\examples\script_raman_pyscf.py
 1 -
A
examples\ci\01-density_matrix.py
 2 -
A
.github\workflows\release_info.sh
 2 -
A
examples\ci\32-wfn_overlap.py
 1 1
A
examples\adc\02-open_shell.py
 3 -
A
examples\df\01-auxbasis.py
 1 1
A
examples\dft\33-nlc_functionals.py
 1 -
A
examples\df\11-access_df_tensor.py
 1 1
A
examples\adc\04-open_shell_different_setup.py
 2 -
A
examples\df\40-precompute_df_integrals.py
 1 -
A
.github\workflows\release_tag.yml
 2 -
A
examples\eph\01-finite_difference_eph.py
 1 -
A
examples\eph\00-simple_eph.py
 1 -
A
examples\dft\12-camb3lyp.py
 2 -
A
.github\workflows\ci_linux\build_pyscf.sh
 7 1
A
.github\workflows\ci_macos\deps_apt.sh
 2 -
A
conda\build.sh
 3 -
A
examples\ao2mo\01-outcore.py
 1 2