Overview of package hfxbase
Basic (largely autogenerated) routines to perform Hartree-Fock exchange calculations
- Contains routines for data compression. PLEASE DO NOT MODIFY.
- routines to contract density matrix blocks with the for center integrals to yield the Kohn-Sham matrix. The specialized routines are about 1.2-2.0 as fast as the default one.
- Contains routines for contraction without dgemms. PLEASE DO NOT MODIFY.