master
pyscf
Repository badge with BPlus rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
examples\local_orb\10-modify_valence_space_for_meta_lowdin.py
 1 2
A
examples\df\01-auxbasis.py
 1 1
A
examples\local_orb\nlocal.py
 2 -
A
.github\workflows\ci.yml
 10 -
A
examples\local_orb\ulocal.py
 2 -
A
examples\df\11-access_df_tensor.py
 1 1
A
examples\mcscf\00-simple_casscf.py
 3 -
A
examples\adc\04-open_shell_different_setup.py
 2 -
A
examples\mcscf\02-cas_space_spin.py
 1 -
A
examples\df\40-precompute_df_integrals.py
 1 -
A
examples\mcscf\04-density_matrix.py
 1 1
A
doc_legacy\source\nao\examples\xyz2fdf.py
3 1 3
A
examples\df\42-overwrite_get_jk.py
2 1 -
A
.codecov.yml
 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\1-advanced\018-dmrg_casscf_for_feporph.py
3 1 1
A
examples\ao2mo\01-outcore.py
 1 2
A
examples\fci\33-rotate_wfn.py
 2 1