• 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
    Also in this commit: Added an error message for too small distances
    between atoms.
chkmt.f90 18 KB