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  This directory contains F90 code for fitting and fast evaluation of the RKHS surfaces  

   contour.f90
   coords.f90
   curve1d.f90
   curve1d_fit.f90
   data_manip.f90
   fast_sum_def.f90
   fast_sum_eval.f90
   fast_sum_init.f90
   global_cutoff.f90
   kernel.f90
   rkhs_func.f90
   surfitpol.f90
   switches.f90
   timing.f90
   tmatrix.f90
   trigonom.f90


  The proper citation for use of these modules is

    N.B.Balabanov, B.C.Shepler, and K.A.Peterson,
    "Accurate global potential energy surface and reaction dynamics for the ground state of HgBr2",
    J.Phys.Chem.A 109, 8765 (2005)

  Use on your own risk. 
  Redistribution of this code, however, is not allowed without prior notification of the authors.

  
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  The references for the RKHS method and the fast summation technique are

    1) T.S. Ho, H. Rabitz. J.Chem.Phys. 104, 2584 (1996)
    2) T.Hollebeek, T-.S. Ho, and H. Rabitz, JCP, 106, 7223 (1997)
  
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