Last patch including the preliminary so corrections. Needs more testing and debugging with real systems
Last patch including the preliminary so corrections. Needs more testing and debugging with real systems

dithillobothrium/SIRIUS,electronic-structure/sirius,toxa81/sirius,electronic-structure/sirius,electronic-structure/sirius,toxa81/sirius,toxa81/sirius,dithillobothrium/SIRIUS,dithillobothrium/SIRIUS,electronic-structure/sirius,toxa81/sirius,electronic-structure/sirius,electronic-structure/sirius,toxa81/sirius,electronic-structure/sirius,dithillobothrium/SIRIUS,toxa81/sirius