I. A computer program for generation of a complete set of coordinates and force matrices for normal mode calculations of crystals and molecules

Published: 01-01-1978| Version 1 | DOI: 10.17632/bfnt9ztbrk.1
Contributor:
Flemming Yssing Hansen

Description

Title of program: FYCOOR Catalogue Id: ACXQ_v1_0 Nature of problem In this paper a computer code, FYCOOR, is described for generation of a complete set of coordinates to be used in a normal mode calculation for crystals or for molecules. This program eliminates or reduces time- consuming and error producing complexities, which have handicapped the application of some computer programs for calculating normal modes. CORRECTION SUMMARY: Vol:Year:Page 0:unpublished:unpublished "000ACORRECTION 28/11/77" "Unpublished correction to I. A computer program for generation of a complete set of coordinates and force matrices for normal mode calculations of crystals and molecules." F.Y. Hansen Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACXQ_v1_0; FYCOOR; 10.1016/0010-4655(78)90015-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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