• Gregor Michalicek's avatar
    Corrected too optimistic guess for maxCubeAtoms · 4fe49922
    Gregor Michalicek authored
    The parameter maxCubeAtoms is used in chkmt to determine the
    size of some arrays. It was chosen too small for some limiting
    cases.
    
    Also in this commit: Added an error message for too small distances
    between atoms.
    4fe49922
chkmt.f90 18 KB