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

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)

摘要
本研究提供了一款名为MORPHY的结构化Fortran 77程序的操作手册。该程序可对分子电子密度及其拉普拉斯量(Laplacian)开展自动化拓扑分析。程序采用风格统一、透明易懂且模块化的范式编写。输入格式紧凑灵活，支持在单份输入作业组中完成多项任务；输出内容详尽，格式美观规整。电荷密度及其拉普拉斯量的临界点可通过稳健且高效的方式定位（原文此处截断）。

程序名称：MORPHY
目录编号：ADCJ_v1_0

问题类型：拓扑分析。

Mendeley数据中的CPC库收录的该程序版本为：
ADCJ_v1_0; MORPHY; 10.1016/0010-4655(95)00113-1

本程序源自贝尔法斯特女王大学馆藏的CPC程序库（1969-2019）