This is great! Lovely to see a clean new codebase implementing quantum chemistry algorithms like Hartree-Fock. I remember using Molpro at my fist job. Venerable

This is great! Lovely to see a clean new codebase implementing quantum chemistry algorithms like Hartree-Fock. I remember using Molpro at my fist job. Venerable and comprehensive it may be, but it is some hoary Fortran code for sure.