The original code was based on the wrong assumption that D2_RA_RA and D2_RA_RB terms of functional second derivatives are identical for closed shells. This could cause TDDFT restricted triplet calculations give wrong numbers and possibly hessian calculations go wrong with other funcitonals using this as a part.  Simply the restricted and unrestricted parts have been consolidated into one.  See VWN functional log also.
The original code was based on the wrong assumption that D2_RA_RA and D2_RA_RB
terms of functional second derivatives are identical for closed shells.
This could cause TDDFT restricted triplet calculations give wrong numbers
and possibly hessian calculations go wrong with other funcitonals using this
as a part.  Simply the restricted and unrestricted parts have been
consolidated into one.  See VWN functional log also.



rangsimanketkaew/NWChem