• Gregor Michalicek's avatar
    Some preparations for the coming xml input file + bugfix for wrong... · a72e844e
    Gregor Michalicek authored
    Some preparations for the coming xml input file + bugfix for wrong determination of number of core states
    
    This commit fixes a bug that lead to a wrong number of core states in the inp file. Since this
    bugfix was already available in another fleur version that includes the coming xml input. Some
    preparations for this input are also introduced at this point.
    a72e844e
atom_input.f 31.1 KB