Search Results for "codes"

CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files.

This is an implementation of post-process phonon analyzer, which calculates crystal phonon properties from input information calculated by external codes, e.g., first-principles calculation code.

This project is a collection of python modules for modelling various optical systems. It presently consists of pyFresnel and pyQW. pyFresnel models optical properties of dielectric layers and includes a thin film model (unlike the many other codes out there this can also handle uniaxial layers as long as the optical axis is aligned with the stack growth direction). pyQW models very simple (n-doped) quantum well structures and their intersubband transitions.

... - Implemented a 3d surface plot (GLSurface) based on OpenGL (ScienPlot v1.3.2 and above) - ColorMap surface, trisurface, Pie, Polar plots, and 3D height field, 3dBar, scatter plots (under developing), and more - Column by column plotting/calculation - LaTex commands enclosed by $ symbols can be used for the labels in Graph - Accept txt(Text) and csv(Comma separated values) formatted data - Save, copy, print Graph - Use spread sheets to display data - Textboard to organize the results - Graphs in a publishable quality - Source codes based on: Python Numpy Scipy Matplotlib WxPython Visvis etc. - Special functions - Drag and drop data files - Python console is back (since v1.3.3), capable of reusing column data - Debye and Guinier models for SANS / SAX data - More apps in our Web below

OpenMie aims to solve electromagnetic scattering problems via the Mie method to provide a benchmark against which to test more general scattering codes. Complete field solutions are given for a number of practical geometries.