Latest version:1.0 (Release date: 2019-Mar-3, last update: 2019-Mar-8)


Dr. Tian Lu (sobereva[at]sina.com. Beijing Kein Research Center for Natural Sciences, China)



The file with .exe extension is executable file for Windows platform, the one without extension is executable file for Linux system. There is no MacOS version.


This is an auxiliary code used to significantly faciliate studying variation curve of various SAPT components calculated by PSI4 code. See this article on how to use dimerscan: "A simple way to investigate the variation of SAPT energy decomposition terms with respect to molecular dimer separation" (http://sobereva.com/469).

This code is also quite useful for Gaussian users if they want to perform rigid scan between two interacting molecules, see this article for detail and example: "The use of Gaussian for potential energy surface scanning" (in Chinese, http://sobereva.com/474)


Tian Lu, dimerscan program, http://sobereva.com/soft/dimerscan (accessed month day, year)

Update History

2019-Mar-3, version 1.0: Initial release