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

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Vol:Year:Page 0:unpublished:unpublished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"Unpublished correction to I. A computer program for generation of a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)

标题：FYCOOR程序

目录编号：ACXQ_v1_0

问题性质
本文介绍了一种名为FYCOOR的计算机代码，该代码用于生成用于晶体或分子正常模态计算的完整坐标集。该程序消除了或减少了耗时且易出错的高度复杂化，这些复杂化曾阻碍了一些计算机程序在计算正常模态方面的应用。

更正摘要：
卷：年：页 0：未发表：未发表

"000ACORRECTION 28/11/77"

"对I. 用于生成晶体和分子正常模态计算的完整坐标集和力矩阵的计算机程序的未发表更正。"

F.Y. Hansen

备注：更正说明包含在源代码中

此程序版本存放在Mendeley Data中的CPC软件库中
ACXQ_v1_0；FYCOOR；10.1016/0010-4655(78)90015-2

该程序已从贝尔法斯特女王大学持有的CPC程序库中导入（1969-2019）