Running a normal WFRT job with an Open-Shell (UKS) singlet wavefunction #5
Description
I am analyzing a wavefunction made by a UKS job, so it has a different set of alpha/beta orbitals.
I currently am able to use this wavefunction only if I include kekule=TRUE keyword.
Analyzing the wfrt.py file, it seems that there are several spin-specific functions, but they are being accessed through the wfrt_kekule function (probably by using the kekule=TRUE in the input file).
It would be nice to have the option to include more Lewis structures than the Kekule ones.