Numerical Algorithms Group

NAG Fortran Builder 5.2
Using NAG Fortran Builder 5.2, computational chemists working on Gaussian and GAMESS and other quantum chemistry code development can gain speed, accuracy and portability for their Fortran code. By comparison, many competing products sacrifice accuracy, standards conformance and portability in exchange for speed. Among its many features, this product offers rapid run-time checking, procedure interface checking across multiple files, undefined variable trapping, memory leak detection, and more. The tool can help programmers to maintain standards conformance and debug and verify their Fortran programs.

NAG C Library of numerical algorithms for C and C++
The NAG C Library of numerical algorithms for C and C++ has been expanded with the addition of more than 150 new functions — it now contains over 1,300 user-callable functions that are widely used for chemical application development. The functions can be used in a wide range of operating systems, languages, environments and packages, such as Excel, Java, MATLAB, and .NET/C#. Enhancements have been made in the areas of statistics, optimization, linear algebra, ordinary differential equations, regression, random numbers, sorting, and special functions. The new release also includes two new chapters on wavelet transforms and global optimization.

NAG Toolbox for MATLAB
The NAG Toolbox for MATLAB allows users to transfer prototype code to final production code in languages such as C and FORTRAN while using the same algorithms. This release includes more than a dozen quickly accessible MATLAB-based examples of advanced programming for optimization problems, simulations, time-series analyses, and other functions.