since libint2 computes the Boys function, I just wanted to make sure you're aware of J. Chem. Phys. 155, 174117 (2021) where Sandeep and Gregory have developed a new fast way to compute the Boys function, and also provide the necessary Fortran implementations.
Hi Ed,
since libint2 computes the Boys function, I just wanted to make sure you're aware of J. Chem. Phys. 155, 174117 (2021) where Sandeep and Gregory have developed a new fast way to compute the Boys function, and also provide the necessary Fortran implementations.