VIMES (Visual Inteface for Materials Simulations) is a graphical user interface (GUI) for pre- and post-processing alomistic materials science calculations. The code includes tools for building and visualizing simple crystals, supercells, and surfaces, as well as tools for managing and modifying the input to Sandia materials simulations codes such as Quest (Peter Schultz, SNL 9235) and Towhee (Marcus Martin, SNL 9235). It is often useful to have a graphical interlace to construct input for materials simulations codes and to analyze the output of these programs. VIMES has been designed not only to build and visualize different materials systems, but also to allow several Sandia codes to be easier to use and analyze. Furthermore. VIMES has been designed to be reasonably easy to extend to new materials programs. We anticipate that users of Sandia materials simulations codes will use VIMCS to simplify the submission and analysis of these simulations. VIMES uses standard OpenGL graphics (as implemented in the Python programming language) to display the molecules. The algorithms used to rotate, zoom, and pan molecules are all standard applications using the OpenGL libraries. VIMES uses the Marching Cubes algorithm for isosurfacing 3D data such as molecular orbitals or electron densities around the molecules.
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Muller, Richard P., and Dorsey, David M. Visual Interface for Materials Simulations.
Computer software. Vers. 00. Sandia National Laboratories. 1 Aug. 2004.
Web.
@misc{osti_1230791,
title = {Visual Interface for Materials Simulations, Version 00},
author = {Muller, Richard P. and Dorsey, David M.},
abstractNote = {VIMES (Visual Inteface for Materials Simulations) is a graphical user interface (GUI) for pre- and post-processing alomistic materials science calculations. The code includes tools for building and visualizing simple crystals, supercells, and surfaces, as well as tools for managing and modifying the input to Sandia materials simulations codes such as Quest (Peter Schultz, SNL 9235) and Towhee (Marcus Martin, SNL 9235). It is often useful to have a graphical interlace to construct input for materials simulations codes and to analyze the output of these programs. VIMES has been designed not only to build and visualize different materials systems, but also to allow several Sandia codes to be easier to use and analyze. Furthermore. VIMES has been designed to be reasonably easy to extend to new materials programs. We anticipate that users of Sandia materials simulations codes will use VIMCS to simplify the submission and analysis of these simulations. VIMES uses standard OpenGL graphics (as implemented in the Python programming language) to display the molecules. The algorithms used to rotate, zoom, and pan molecules are all standard applications using the OpenGL libraries. VIMES uses the Marching Cubes algorithm for isosurfacing 3D data such as molecular orbitals or electron densities around the molecules.},
doi = {},
url = {https://www.osti.gov/biblio/1230791},
year = {Sun Aug 01 00:00:00 EDT 2004},
month = {Sun Aug 01 00:00:00 EDT 2004},
note =
}
