|
|
| COMPLIANCE 3.0.2
|
|
|
|
|
|
|
|
|
|
Compliance 3.0.2. Download
screenshot
Downloading our graphical interface and the engine of the compliance software you accept the following condition:
You agree to acknowledge use of the code in any reports or publications of results obtained with the software citing our following papers:
1) Brandhorst, K., and Grunenberg, J. Efficient computation of compliance matrices in redundant internal coordinates from Cartesian Hessians for nonstationary points. The Journal of Chemical Physics, 132: 184101-7.
2) 1. Brandhorst, K., and Grunenberg, J. How strong is it? The interpretation of force and compliance constants as bond strength descriptors. Chemical Society Reviews, 37: 1558-1567, 2008.
Download: compliance-3.0.2.tar
Installation Guide
QUICK TUTORIAL
1) Just left-click the atoms you are interested, and then right-click somewhere
in the window in order to get the options.
2) "Add the coordinate" in order to build up the compliance matrix successively.
3) You can click on the individual label in order to see the animated compliance mode.
Quick Compliance Video
|
|
|
|
|
|
|
Prof. Dr. Jörg Grunenberg
Tel : +49.531.3915252
Mail : Joerg.Grunenberg.at.tu-braunschweig.de
|
|