Mix and match pseudopotential sets
Implementation of using a PseudopotentialSet in the speciesblock. So now Octopus can do things like this:
%Species
'C' | species_pseudo | set | hgh_lda
'O' | species_pseudo | set | pseudodojo_pbe
%
It also uses the default set if it is not specified, so one can change parameters for a default pseudopotential without having to specify the pseudopotential file. For example:
%Species
'H' | species_pseudo | mass | 2.0
%
Edited by Xavier Andrade