MORPHY, a program for an automated “atoms in molecules” analysis
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https://elsevier.digitalcommonsdata.com/datasets/87rhkfgxtp
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Abstract
The operating manual for a structured FORTAN 77 program called MORPHY is presented. This code performs an automated topological analysis of a molecular electron density and its Laplacian. The program is written in a stylistically homogeneous, transparant and modular manner. The input is compact but flexible and allows for multiple jobs in one deck. The output is detailed and has an attractive lay-out. Critical points in the charge density and its Laplacian can be located in a robust and econo...
Title of program: MORPHY
Catalogue Id: ADCJ_v1_0
Nature of problem
Topological Analysis.
Versions of this program held in the CPC repository in Mendeley Data
ADCJ_v1_0; MORPHY; 10.1016/0010-4655(95)00113-1
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间：
2019-11-11
