change a logic in the sim.ctx. initialization
change a logic in the sim.ctx. initialization

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