In the gbasis/screening.py file, there is a typo in the function name compute_contraction_upper_bond where it should ideally be named compute_contraction_upper_bound.
You can find the definition of the function in gbasis/screening.py:
def compute_contraction_upper_bond(contractions, deriv_order):
In the gbasis/screening.py file, there is a typo in the function name compute_contraction_upper_bond where it should ideally be named
compute_contraction_upper_bound.You can find the definition of the function in
gbasis/screening.py: