master
pyscf
Repository badge with A rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
examples\cc\01-density_matrix.py
 3 -
A
examples\grad\11-excited_state_casci_grad.py
 2 -
A
examples\pbc\46-k_point_eom_ccsd_rhf.py
 1 -
A
examples\pbc\47-pywannier90.py
 1 -
A
examples\grad\12-excited_state_casscf_grad.py
 1 -
A
examples\qmmm\00-hf.py
 1 -
A
examples\qmmm\01-dft.py
 1 -
A
examples\cc\01-lambda.py
 1 -
A
examples\grad\16-scan_force.py
 2 -
A
examples\qmmm\02-mcscf.py
 3 -
A
examples\qmmm\03-ccsd.py
 2 -
A
examples\gto\00-input_mole.py
 2 -
A
examples\qmmm\04-cisd.py
 1 -
A
examples\qmmm\05-mp2.py
 1 -
A
examples\cc\10-ao_direct_ccsd.py
 1 -
A
examples\gto\01-input_geometry.py
 4 -
A
examples\qmmm\06-tddft.py
 1 -
A
examples\qmmm\10-x2c.py
 1 -
A
examples\gto\02-dump_input.py
 1 -
A
examples\qmmm\11-newton.py
 1 -