Hello everyone,

I have a question related to the PP component called "Semiempirical Properties (VAMP)". One of the component's options asks the user to define a charge, which according to the help file is "The total charge on the unit cell." 

I find this explanation particularly confusing: since VAMP can be used to run calculations on single molecules having various charges, what is the meaning of the total charge on the unit cell? The very definition of a unit cell is irrelevant in single-molecule calculations. 

Also, for single-molecule calculations, what is the total molecular charge that is used in this PP component?

Thanks!