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Encounter

A new version of Encounter is under development based on Node.js and Electron. The repository can be found here.

Encounter

Encounter 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.

CI Status

Build Status C++/Qt

No CI Java

Build status .NET/C#

No CI Objective-C/Cocoa

Build & Usage

Encounter comes in 4 different languages:

  • C++/Qt (Encounter)
  • Java (JCounterpoise)
  • .NET/C# (Sharpen)
  • Objective-C/Cocoa (Xen)

All source code can be found in the 1.0-northcote directory.

Please see the wiki for detailed build and usage instructions.

A sample GAUSSIAN counterpoise correction calculation is included in the samples directory.