Here you go: Avogadro 1.100 Release
As I said, it doesn’t yet help with open-shell species, but that should come fairly soon in terms of separate columns for alpha and beta spin-orbitals.
(Suggestions for the UI are always welcome.)
Here you go: Avogadro 1.100 Release
As I said, it doesn’t yet help with open-shell species, but that should come fairly soon in terms of separate columns for alpha and beta spin-orbitals.
(Suggestions for the UI are always welcome.)