In the linear models practicals we used the R function lm to fit linear models. The aim of this assignment is to demonstrate how to compute least squares parameter estimates using the so-called QR method and how this method can be implemented in R. The QR method is the default procedure used by the lm function.

A package of 39 low-level subprograms for many of the basic operations of numerical linear algebra is presented. The package is intended to be used with FORTRAN. The operations in the package are dot products, elementary vector operations, Givens transformations, vector copy and swap, vector norms, vector scaling, and the indices of components of largest magnitu3F.The subprograms and a test driver are available in portable FORTRAN.

This paper describes an extension to the set of Basic Linear Algebra Subprograms. The extensions are targeted at matrix-vector operations that should provide for efficient and portable implementations of algorithms for high-performance computers.

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The growth in complexity of quantum mechanical software packages for modelling the physicochemical properties of crystalline materials may hinder their usability by the vast majority of non‐specialized users. Consequently, a free operating‐system‐independent graphical user interface (GUI) has been developed to drive the most common simulation packages for treating both molecules and solids. In order to maintain maximum portability and graphical efficiency, the popular molecular graphics engine Jmol, written in the portable Java language, has been combined with a specialized GUI encoded in HTML and JavaScript. This framework, called J‐ICE, allows users to visualize, build and manipulate complex input or output results (derived from modelling) entirely via a web server, i.e. without the burden of installing complex packages. This solution also dramatically speeds up both the development procedure and bug fixing. Among the range of software appropriate for modelling condensed matter, the focus of J‐ICE is currently only on CRYSTAL09 and VASP.

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This paper describes a model implementation and test software for the Level 2 Basic Linear Algebra Subprograms (Level 2 BLAS). Level 2 BLAS are targeted at matrix-vector operations with the aim of providing more efficient, but portable, implementations of algorithms on high-performance computers. The model implementation provides a portable set of FORTRAN 77 Level 2 BLAS for machines where specialized implementations do not exist or are not required. The test software aims to verify that specialized implementations meet the specification of Level 2 BLAS and that implementations are correctly installed. SCOPE OF THE ALGORITHMIn [7] we have defined the specification of a set of Basic Linear Subprograms for selected matrix-vector operations usually referred to as "Level 2 BLAS" or "Extended BLAS." They provide a standard framework to develop modular, portable, and efficient FORTRAN 77 code for many computational problems in J. J.