• Gregor Michalicek's avatar
    Rewrote chkmt.f90. · 2712fa64
    Gregor Michalicek authored
    This commit introduces the new chkmt.f90. Besides some exceptions this
    new routine should yield the same results as the old one. With a runtime
    scaling of O(N_atoms) it overcomes the bad O(N_atoms^4) scaling of the
    old pendant.
    2712fa64
chkmt.f90 17.3 KB