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A COLLECTION OF FORTRAN PROGRAMS FOR CRYSTAL STRUCTURE ANALYSIS

H. G. Norment

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Abstract

Descriptions and operating instructions for a collection of general utility programs applicable to various phases of crystal structure analysis with computers are presented. All coding is done in FORTRAN II language for 32K core IBM 704 and 7090 machines. The data input to many of the programs has been designed to be compatible with the output of the automatic data reduction pro gram XRDDR (H. G. Norment, An X-Ray Diffraction Data Reduction Program for the IBM 704 and 7090, NPORT %+#(, Feb. 1962). Where data input from special tape is required, the logical tape numbers are assigned symbolic designations near the beginnings of the FORTRAN programs. Thus, if it is required that these tape numbers be changed, it is sufficient to change only the one FORTRAN statement card and then recompile. In the form presented in this report, the programs are written for use with the IBM 7090 IB Monitor system.

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What this paper is about

Descriptions and operating instructions for a collection of general utility programs applicable to various phases of crystal structure analysis with computers are presented. All coding is done in FORTRAN II language for 32K core IBM 704 and 7090 machines. The data input to many of the programs has been designed to be compatible with the output of the automatic data reduction pro gram XRDDR (H. G. Norment, An X-Ray Diffraction Data Reduction Program for the IBM 704 and 7090, NPORT %+#(, Feb. 1962). Where data input from special tape is required, the logical tape numbers are assigned symbolic designations near the beginnings of the FORTRAN programs. Thus, if it is required that these tape numbers be changed, it is sufficient to change only the one FORTRAN statement card and then recompile. In the form presented in this report, the programs are written for use with the IBM 7090 IB Monitor system.

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Available abstract

Descriptions and operating instructions for a collection of general utility programs applicable to various phases of crystal structure analysis with computers are presented. All coding is done in FORTRAN II language for 32K core IBM 704 and 7090 machines. The data input to many of the programs has been designed to be compatible with the output of the automatic data reduction pro gram XRDDR (H. G. Norment, An X-Ray Diffraction Data Reduction Program for the IBM 704 and 7090, NPORT %+#(, Feb. 1962). Where data input from special tape is required, the logical tape numbers are assigned symbolic designations near the beginnings of the FORTRAN programs. Thus, if it is required that these tape numbers be changed, it is sufficient to change only the one FORTRAN statement card and then recompile. In the form presented in this report, the programs are written for use with the IBM 7090 IB Monitor system.

Key concepts: Fortran, Computer science, Programming language, Parallel computing

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