Fix a compilation error
Fix a compilation error

electronic-structure/sirius,electronic-structure/sirius,toxa81/sirius,toxa81/sirius,toxa81/sirius,electronic-structure/sirius,electronic-structure/sirius,toxa81/sirius,electronic-structure/sirius,toxa81/sirius,toxa81/sirius,electronic-structure/sirius,electronic-structure/sirius