master
pyscf
Repository badge with A rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
examples\scf\56-h2_symm_breaking.py
7 1 -
A
pyscf\hessian\__init__.py
 4 -
A
examples\gw\00-simple_gw.py
 1 -
A
pyscf\hessian\rks.py
71 8 -
A
examples\scf\71-patch_scf_kernel.py
5 1 -
A
pyscf\hessian\test\test_rks.py
4 1 -
A
examples\cc\41-ccsd_custom_hamiltonian_noscf.py
1 1 -
A
pyscf\hessian\test\test_uhf.py
2 2 -
A
examples\sgx\01-pscreen_large_mol.py
 1 -
A
pyscf\hessian\thermo.py
42 5 -
A
examples\gw\02-gw_exact.py
 1 -
A
pyscf\data\nist.py
 5 -
A
examples\pbc\04-input_basis.py
 1 -
A
pyscf\data\nucprop.py
7 1 -
A
pyscf\data\radii.py
 4 -
A
examples\solvent\01-casscf_with_ddcosmo.py
 2 -
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 -