Search Results for "z-matrix"

...The developed tools include: 1) generator of molecule-water complexes with graphical user interface (GUI), 2) semi-automatic frequency analysis using symbolic potential energy distribution matrix and comparison of optimized internal coordinates, 3) GUI for charge fitting with three modes: manual, Monte-Carlo sampling or brute force, and 4) GUI for dihedral terms fitting. The usage of these tools decreases the labor effort, lowers manual input errors and reduces the time needed for accurate MM parameterization efforts.

Introducing RAWR (Rapid Assessment of Web Resources). There's a lot packed in this tool that will help you get a better grasp of the threat landscape that is your client's web resources. It has been tested from extremely large network environments, down to 5 node networks. It has been fine-tuned to promote fast, accurate, and applicable results in usable formats. RAWR will make the mapping phase of your next web assessment efficient and get you producing positive results faster!

SystemSpecifyer is used to develop and maintain complex, well structured, systems specifications, in normal language. Using the System Matrix double matrix relation building mechanism specs can be tested for completeness, correctness and consistency.