pjn     same comments as dirac.c...use non-relativsitic input and create a proper relativistic input on the fly (creates 2 relativsitic states (n,l,1/2) and (n,l.-1/2) from each (n,l) state. also added function to return the spin of a given state. perhaps returning j would be better?
pjn
    same comments as dirac.c...use non-relativsitic input and create a proper relativistic input on the fly
(creates 2 relativsitic states (n,l,1/2) and (n,l.-1/2) from each (n,l) state.
also added function to return the spin of a given state. perhaps returning j would be better?



rangsimanketkaew/NWChem