Potential bug in sad.cc: definition of pseudo-orbitals #3137
Description
As a result of in-person collaboration on #3136 with @loriab in Lausanne, I noticed a bug in the SAD code:
psi4/psi4/src/psi4/libscf_solver/sad.cc
Line 716 in 9dbdd59
The pseudo-orbitals should be obtained by multiplying the orbital with the square root of their occupation to reproduce the correct density matrix C occ C^T.