Project DescriptionEncounter is a simple program for calculating the interaction energy between two molecules using the output from a GAUSSIAN two-component counterpoise correction calculation.
The Counterpoise Correction arises due to the Basis Set Superposition Error in quantum modeling.
May 2012: Encounter 0007 Northcote Released!
This update fixes the issues with the Java implememation in the 0006 update.
The 0006 update introduced several new features to all implementations of Encounter, including:
- Calculation description is now obtained and displayed in the user interface
- Calculation description is included in exported data
- Data can now be exported in JSON and XML
Don't forget about the native Objective-C/Cocoa implementation introduced in Northcote 0005!