RMS deviation between two sets of cartesian coords

James F. Blake jim at doctor.chem.yale.edu
Wed Dec 5 15:05:28 AEST 1990


     I am looking for code to compute the RMS deviation between two
sets of cartesian coordinates.  The coordinates would be arbitrarily
oriented with respect to each other, so some sort of fitting would
be required (LLSQ, NLLSQ, or simplex).  General or specific code
would be appreciated.  Thanks.

  Jim



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