The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations of atomic and molecular systems.
This changes are implemented to improve vectorization for the orbitals subroutines, since a performance regression has been observed and it is more noticeable when using no vectorization flags for the specific arquitectures. I will wait for the CI tests to pass, then merge it if all is right..
This changes are implemented to improve vectorization for the orbitals subroutines, since a performance regression has been observed and it is more noticeable when using no vectorization flags for the specific arquitectures. I will wait for the CI tests to pass, then merge it if all is right..