This code is associtated with this paper Nunez2025
For the simpler ground state problem, we are able to solve 1 million orbitals in 1 hour of single core. See the branch million
If you use intel mkl library:
export LD_LIBRARY_PATH=/opt/intel/mkl/lib/intel64:$LD_LIBRARY_PATH
export MKL_THREADING_LAYER=sequential