Should also be able to choose between which species the RDF is calculated. For this we can for instance add a variable to the atom objects (in atom.h)
std::string name;
And set that variable to "Na", "Cl" or whatever atom it is and use that variable when calculating the RDF
Should also be able to choose between which species the RDF is calculated. For this we can for instance add a variable to the atom objects (in atom.h)
std::string name;And set that variable to "Na", "Cl" or whatever atom it is and use that variable when calculating the RDF