bring master updates to my branch, to find why a FCI test failed#97

Merged

fsmoncadaa merged 14 commits intoROCIfrom master

Nov 4, 2024

+8,089-5,477

Commits on Aug 5, 2024

Fixed the MIXED density guess. Now the mixing will be applied to e-alpha orbitals only! and it consists on taking the original alpha homo orbitals and adding 0.25 of lumo.
jacharrym
committed

Commits on Aug 10, 2024

Added tests for external electric field and dipole moment.
jacharrym
committed

Commits on Aug 11, 2024

Commits on Aug 12, 2024

Commits on Aug 13, 2024

Renamed CI subroutines according to the module name
jacharrym
committed

Commits on Aug 15, 2024

Added the iterative diagonal dressed shift to the CISD matrix as a size-extensive correction.
jacharrym
committed

Commits on Aug 16, 2024

Commits on Aug 21, 2024

Minor optimization for CI code
jacharrym
committed

Commits on Sep 3, 2024