wB97X definition bug

Hi everyone

The wB97X functional in Psi4 appears to be have the wrong parameters.
The range-separation omega parameter should 0.3 according to the original paper but is 0.4 in the code and in the manual. And energies differ compared to wB97X in other codes.

The wB97 functional is fine. I have not checked the others wB97-type functionals.

Changing the parameter in psi4/share/psi4/python/procedures/functional.py gives energies that agree with other codes.

Cheers, Ragnar

This is a known bug and is fixed in 1.2 which is still being developed. It would be good to push this back into the 1.1 release however. If you can, please make a pull request on our GitHub page, or I can get to it sometime tomorrow.