1. 26 Sep, 2016 1 commit
    • 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.
  2. 30 Jun, 2016 1 commit
  3. 27 Apr, 2016 1 commit
    • 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.
  4. 26 Apr, 2016 1 commit