In the News..

28-06-2006

GaussView 4 - coming soon

Gaussian Quick Launch & Job Schemes: Launch Gaussian without saving the molecule first, and save commonly-used calculation types as templates.

3D Scan Plots: Results from Scan calculations over 2 variables are displayed as a 3D plot.

Greatly expanded plot features for Spectra: Support for UV/Visual spectra and the ability to customize all spectrum plots,including frequency scaling.

Enhanced Fragment Library support.

Contour plots: Display surface slices. Also, much faster surface generation.

Movie files: Generate animations of geometry optimizations, IRCs and other calculation types as well as molecular vibrations from frequency jobs.

Gaussian 03/03W/03M

Parallel Gaussian 03W

Beginning with Rev. D.01, Gaussian 03W is available in three versions:

Single CPU (also called the “Serial” version): this is the version of G03W we have been offering previously. It runs only on a single CPU.

Multiprocessor (also called the “Parallel” version): this version of G03W will run a calculation across multiple CPUs on multiprocessor computers running Windows (for example, on both CPUs of a dual processor). This version will also run on single CPU systems, so customers do not need both the Single CPU and Multiprocessor versions if they have both kinds of computer systems.

Multiprocessor with Linda (also called the “Parallel with Linda” version): this version of G03W will run a calculation across multiple CPUs on multiprocessor computers running Windows as above. It will also run a calculation using multiple networked Windows computers (just as the UNIX versions of Gaussian 03 with Linda do). Again, this version will also run on single CPU systems. This version of G03W is available only as a site license.