DAMQT_2.2.0

Published: 8 May 2018| Version 3 | DOI: 10.17632/rpzbrppywy.3
Contributors:
Rafael Lopez,
Jaime Fernández-Rico,
Guillermo Ramírez,
Ignacio Ema,
David Zorrilla,
Anmol Kumar,
Sachin Yeole,
Shridhar Gadre,
Gabriel Urquiza,
Gerd Rocha

Description

Package for the visualization and analysis of molecular electron density (MED) and related properties including electrostatic field (MESP) and Hellmann-Feynman forces. Incorporates facilities for the topological analysis of MED and MESP.

Files

Steps to reproduce

Sample decks are included in the samples directory for testing. A Quick Start document is included in the doc directory. Manual included in the doc directory

Categories

Molecular Bonding, Molecular Design

License