A computer program designed to provide a number of quantitative analysis tools for high-resolution imaging and electron diffraction data is described. The program includes basic image manipulation, both real space and reciprocal space image processing, Wiener-filtering, symmetry averaging, methods for quantification of electron diffraction patterns and two-dimensional direct methods. The progra...

FPT is a Fortran Parallel Transformer 1 which parallelizes sequential programs for various parallel processing architectures. Recently, a Program Information Base (PIB) is developed in order to adapt the FPT for diierent application domains. A program information base integrates various forms of program information into a database. Users are asked to use a data manipulation language (DML) to de...

This article describes a quantum mechanical reactive scattering program for atom–diatom chemical reactions that we have written during the past several years. The program uses a coupled-channel hyperspherical coordinate method to solve the Schrödinger equation for the motion of the three nuclei on a single Born–Oppenheimer potential energy surface. It has been tested for all possible deuterium-...

This note provides a description of software that allows to fit Bayesian genetically structured variance models using Markov chain Monte Carlo (MCMC). The gsevm v.2 program was written in Fortran 90. The DOS and Unix executable programs, the user's guide, and some example files are freely available for research purposes at http://www.bdporc.irta.es/estudis.jsp. The main feature of the program i...

“Real world” programs are mostly written in procedural languages such as C, Pascal, Fortran, Modula, etc. The control flow graph is probably the most adequate, useful, and generic model for programs in procedural languages. The operational approach based of control flow graphs has been utilized in most compilers for analyzing programs in imperative languages. This approach assumes that environm...

I present a short overview over W pair production and studies of angular differential cross-sections with and without initial state radiation applying semianalytical methods and using the Fortran program GENTLE. The influence of anomalous couplings to this process is also discussed. Talk given at Zeuthen Workshop on Loops and Legs in Gauge Theories, 19–24 April 1998, Rheinsberg, Germany

Formulae are presented for the linear growth factor D/a and its logarithmic derivative d lnD/d ln a in expanding Friedmann-Robertson-Walker Universes with arbitrary matter and vacuum densities. The formulae permit rapid and stable numerical evaluation. A fortran program is available at http://casa.colorado.edu/∼ajsh/growl/.

DEFINITION OpenMP is an application programming interface for parallelizing sequential programs written in C, C++, and Fortran on shared-memory platforms. It provides a collection of compiler directives, a runtime library, and environment variables to enable programmers to specify the parallelism they desire to exploit in a program.

We propose an approach to the semi-automatic transformation of legacy Fortran applications for execution on cloud computing platforms. An architecture is proposed based on web-services choreography, which allows unlimited scalability of the system and reduces overhead on message passing. The approach is tested on an example program from the quantum chemistry field.