Search Results for "there is no way to"

... be configured and operated individually. Strategy scans involving all instruments can be programmed in a simple acquisition panel. Data are saved in a hierachical way, adapted to scan profiles (HDF5 file format). The graphical user interface is based on open source Qt.

This is a collection of software modifications created to integrate NanoEngineer-1, PACKMOL and MSI2LMP for the purpose of easily creating molecular dynamics cells. NanoEngineer-1 is a molecular CAD software written by Nanorex and provides the user an easy way to create molecules, while the software modifications allow the user to type atoms using multiple force fields. PACKMOL can generate a random collection of molecules using the molecule templates from NanoEngineer-1 thus providing...

The Open-source Pseudopotential Interface / Unification Module (OPIUM) allows to generate pseudopotentials in an interactive way, perform ghost checks, Kleinman-Bylander transformation, and output in many different pseudopotential file formats.

FORTRAN Unit Test Framework, written in FORTRAN 95. So that all FORTRAN features can be tested. FRUIT has assertion, fixture, setup, teardown, report, spec, driver generation. Rake used as build tool. Tutorials at http://fortranxunit.wiki.sourceforge.net The core testing part is in FORTRAN, this part can be used independent of the Ruby codes. The Ruby code is to make fixtures and reports easier. Rake is to build the project elegantly. This project also demonstrate a new way to build...

YAFEMS (Yet Another Finite Element Method Solver) is a FEM solver for Linux and WIndows that reads a MED mesh file produced by Salome (http://www.salome-platform.org/) with certain groups created into the mesh, and with the help of an input text file (.yaf), performs a 3D or 2D plane stress or plane strain analysis and creates results in plain text format and in MED format. This way a complete analysis can be carried inside Salome, where a mesh file can be created, exported and read...

Taylor series Integrator for Differential EquationS. This software is developed by Profs. A. Abad, R. Barrio, F. Blesa and M. Rodriguez, (GME, University of Zaragoza, Spain). It consists on a C (Fortran) library, libTIDES, and a Mathematica package, MathTIDES. (MathTIDES requires Mathematica version >= 7.0) . Basic references: * A. Abad, R. Barrio, F. Blesa, M. Rodriguez, 2012. Algorithm 924: TIDES, a Taylor series Integrator for Differential EquationS, ACM TOMS. 39, no. 1, art. 5....

.... If someone contributes improving the capabilities of this model in a substantial way, I will include that person as co-author of the model in the next version release. I hope this will promote people to contribute. Of course, fixing bugs or minor changes will also be mentioned with the corresponding author. Thanks a lot. I hope this can be the seed of a Open Source Community of Ecological Modellers.

Provide an easy way to modify the rounding mode of iEEE754 operations in an program. The aim of this tool is to allow the evaluation of the numerical quality of a code by comparing results given by the same code using different rounding mode.

Dodona is a molecular dynamics program which aims to treat nanostructures. It is provided with a basic interpretater language and can easily be extended with plugins. It supports basic matrix and vector manipulation in a Matlab/Octave-fashion way.