Search Results for "shell command"

Uma calculadora desenvolvida em C, com interface gráfica em Python.

Libraries for integration of atmospheric trajectories. Includes a basic trajectory integrator, contour advection codes and semi-Lagrangian tracer simulations.

**(9 march 2016) this project is continued on github : http://jaapkroe.github.io/polypy ** Python script to analyze (shortest-path) rings in structures read from xyz-files. It can be useful for example to identify defects in crystal structures or molecules.

THE NEW, 11/7/2013 VERSION OF MOLCRUNCH IS HERE Molcrunch is an atomic or molecular electronic properties computational package. It provides Gaussian and Slater orbital support for SCF, MCSCF, and orthogonal or nonorthogonal orbital CI calculations. Its most sophisticated feature is a configuration manipulation CI package that provides symmetry filtering, orbital occupation selection, and a choice of many other wave function and/or basis characteristics. The symmetry filtering...

Unix-based preparation and analysis toolbox for Nanomaterials and Room Temperature Ionic Liquids in Bulk and Slab using bash scripts, Gromacs tools and Matlab functions. NaRIBaS provides a framework that decouples user input parameter and terminal based command lines. NaRIBaS does not replace a simulation software and specific analysis tools like Gromacs, but it allows iterative repetition of tasks while changing specific input parameter. The toolbox is to be understood as a scripting...

HPC cloud computing for OpenFOAM (R) users

X-Bc (formerly: xbc) is a graphical user interface to the command line calculator bc. All Inputs and Outputs stays visible for editing and comparing. Functionality: trigonometry, number-theory, exponential funcs, scientific constants, primenumbers ...

Contains tools and executables for performing isoline retrieval as described in the paper: Peter Mills (2009) "Isoline retrieval: An optimal method for validation of advected contours." Computers & Geoscience, 35 (11); 2020-2031.