Accession Number : AD0748025

Title :   The X-Ray System of Crystallographic Programs for any Computer Having a Pidgin Fortran Compiler.

Descriptive Note : Technical rept.,

Corporate Author : MARYLAND UNIV COLLEGE PARK COMPUTER SCIENCE CENTER

Personal Author(s) : Stewart,J. M. ; Kruger,G. J. ; Ammon,H. L. ; Dickinson,C. ; Hall,S. R.

Report Date : JUN 1972

Pagination or Media Count : 283

Abstract : The report is a manual for the use of a library of Fortran crystallographic programs. This library, called the x-ray system, is designed to carry out the calculations required to solve the structure of crystals by diffraction techniques. It has been implemented at the University of Maryland on the univac 1108 under exec VIII. It has, however, been developed and run on a variety of machines under various operating systems. Hence the authors consider it to be an essentially machine independent library of applications programs. The report includes definition of crystallographic computing terms, program descriptions, with some text to show their application to specific crystal problems, detailed card input descriptions, mass storage file structure and some example run streams. No programs are shown. They are supplied separately as ca. 60000 cards on a blocked tape appropriate to the machine on which they are to be compiled and run. (Author)

Descriptors :   (*CRYSTAL STRUCTURE, X RAY DIFFRACTION), (*X RAY DIFFRACTION, *COMPUTER PROGRAMS), COMPUTER PROGRAMMING, INSTRUCTION MANUALS, CATALOGS, INTEGRAL TRANSFORMS, LEAST SQUARES METHOD, CRYSTALLOGRAPHY

Subject Categories : Computer Programming and Software
      Crystallography

Distribution Statement : APPROVED FOR PUBLIC RELEASE