The project is still at an early stage, and many things need to be decided. How should the various parameters be accessed? This is also going to be important for C/Fortran interfaciability. A std::pair<std::string,double> interface would be probably best, since downstream codes shouldn't know about openorbital's internals; instead, the end user should be able to pass the definitions to the library.
The project is still at an early stage, and many things need to be decided. How should the various parameters be accessed? This is also going to be important for C/Fortran interfaciability. A
std::pair<std::string,double>interface would be probably best, since downstream codes shouldn't know about openorbital's internals; instead, the end user should be able to pass the definitions to the library.