This program computes Density Derived Electrostatic and Chemical (DDEC) net atomic charges and atomic multipoles for periodic and nonperiodic systems. These chemically meaningful net atomic charges approximately reproduce the electrostatic potential.
VERSION HISTORY
- Version files posted on 2011-03-21
Several fixes and updates - Version N/A posted on 2011-03-21
Program Details
- Category: Network & Internet > Other
- Publisher: ddec.sf.net
- License: Free
- Price: N/A
- Version: Array
- Platform: windows