spin contamination and spin populations

[fsmoncadaa]

It would be nice to compute the spin contamination and spin populations for other particles, for example when we define alpha and beta positrons (E+A and E+B in the input). It would also be nice if the program automatically detects which species are equivalent with the exception of the spin sign, and then uses this information to compute the spin properties

[jacharrym]

What about creating an input variable to ask the user for a pair of quantum species to compute those properties?

[fsmoncadaa]

that's a great starting point :)