Restrained Least-Squares Program (RESLSQ) Users Manual.

Abstract

A restrained least-squares program package is available for analysis of x-ray diffraction data from small and medium sized molecules. The package consists of three basic programs. The first, SCATT, prepares a binary data file which contains scattering factor information for each reflection. The second, MODEL, constructs the 'ideal' molecule towards which the experimental model is refined. The third, RESLSQ, performs the least-squares refinement using conjugant gradient sparse-matrix methods. (Author)

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Document Details

Document Type
Technical Report
Publication Date
Mar 28, 1983
Accession Number
ADA126171

Entities

People

  • John H. Konnert
  • Judith L. Flippen-anderson
  • Richard Gilardi

Organizations

  • United States Naval Research Laboratory

Tags

Communities of Interest

  • Air Platforms

DTIC Thesaurus Topics

  • Coefficients
  • Computer Programming
  • Computers
  • Data Sets
  • Dictionaries
  • Diffraction
  • Electron Diffraction
  • Elements
  • Equations
  • Geometry
  • Military Research
  • Molecules
  • Plastic Explosives
  • Relative Motion
  • Scattering
  • Sparse Matrix
  • Two Dimensional

Fields of Study

  • Chemistry

Readers

  • Computer Science.
  • Materials Science and Engineering.
  • Parallel and Distributed Computing.