This solves issue #12 by adding the charge to atoms where charge is bigger or smaller than 0. I included the case for negatively charged ions, not sure if it ever will be used, but we have it now anyways.
Here is how the call has to be adopted in PR #11's example:
species_name_to_fastchem_name(name, charge)
for name, charge in zip(available_species.iloc[species_indices ['name'], available_species.iloc[species_indices]['charge'])]
This solves issue #12 by adding the charge to atoms where charge is bigger or smaller than 0. I included the case for negatively charged ions, not sure if it ever will be used, but we have it now anyways.
Here is how the call has to be adopted in PR #11's example: