Closed bigd4 closed 2 years ago
could you also help to print out the element information here:
for (int n = 0; n < paramb.num_types; ++n) { std::cout << " type " << n << " (Z = " << zbl.atomic_numbers[n] << ").\n"; }
to amke it output something like: "(O with Z = 8)"
I think this was lost during one of my refactorization.
It may be more convenient for pynep if add element_list back OvO