Overview of package hfxbase

Basic (largely autogenerated) routines to perform Hartree-Fock exchange calculations

hfx_compression_core_methods

Contains routines for data compression. PLEASE DO NOT MODIFY.

hfx_contract_block

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.

hfx_contraction_methods

Contains routines for contraction without dgemms. PLEASE DO NOT MODIFY.