master
pyscf
Repository badge with A rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
examples\pbc\41-pbc1d_real_space_sum.py
6 2 -
A
examples\grad\10-excited_state_cisd_grad.py
 2 -
A
examples\pbc\44-k_point_eom_ccsd_ghf.py
 1 -
A
examples\cc\01-density_matrix.py
 3 -
A
examples\pbc\47-pywannier90.py
 1 -
A
examples\grad\12-excited_state_casscf_grad.py
 1 -
A
examples\qmmm\01-dft.py
 1 -
A
examples\1-advanced\033-constrained_dft.py
50 1 -
A
examples\qmmm\03-ccsd.py
 2 -
A
examples\gto\00-input_mole.py
 2 -
A
examples\qmmm\05-mp2.py
 1 -
A
examples\cc\10-ao_direct_ccsd.py
 1 -
A
examples\gto\30-read_molpro_orb.py
 2 -
A
examples\2-benchmark\fci_iteration.py
 2 -
A
examples\cc\40-ccsd_custom_hamiltonian.py
 1 -
A
examples\gto\31-basis_set_exchange.py
 1 -
A
examples\gw\00-simple_gw.py
 1 -
A
examples\cc\41-ccsd_custom_hamiltonian_noscf.py
1 1 -
A
examples\gw\01-gw_cd.py
 1 -
A
examples\gw\02-gw_exact.py
 1 -