MORPHY, a program for an automated “atoms in molecules” analysis

Published: 1 January 1996| Version 1 | DOI: 10.17632/87rhkfgxtp.1
Paul L.A. Popelier


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)



Physical Chemistry, Molecular Physics, Computational Physics