Search Results for "xtream-codes"

A library of C codes for storing and managing nuclear reaction networks, that is, ensembles of nuclear species and reactions among them.

...atomes is a toolbox developed to analyze, to visualize and to create/edit 3D atomic scale models. atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes: - Classical MD : DL-POLY and LAMMPS - ab-initio MD : CPMD and CP2K - QM-MM MD : CPMD and CP2K atomes is developed by Dr. Sébastien Le Roux, research engineer for the CNRS Dr. Sébastien Le Roux works at the Institut de Physique et Chimie des Matériaux de Strasbourg.

A collection of codes that allow a user to store and use data on quantum levels in a system such as an atom, molecule, or nucleus.

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.

A collection of sparse Fourier transform codes developed by faculty at MSU. Currently codes for four different prototype sparse FFTs are here: 1.) DMSFT, implemented by Ruochuan Zhang. This is a fast, stable, noise robust, and *fully discrete* improvement on the ideas in GFFT below. It is THE BEST sparse FFT around!!! If you're looking for AAFFT, try this out first. 2.)

Grid-based Coupled Electron and Electromagnetic field Dynamics (GCEED) is an open-source software package for massively parallel first-principles calculations of electron dynamics in real time and real space. The program codes are written in the Fortran 90/95 language with MPI and OpenMP. Time dependent density functional theory (TD-DFT) calculations can be performed on 100,000 CPU cores of K Computer with high parallel efficiency.

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.

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

PAMELA (Pseudospectral Analysis Method with Exchange & Local Approximations) is a self-contained suite of MATLAB codes that can calculate electronic energies, densities, wavefunctions, and band-bending diagrams within a self-consistent Schrödinger-Poisson formalism.

The Lightweight Integrating Multiphysics Environment for coupling codes (LIME) is a small software package for creating multiphysics simulation codes. LIME is intended to be especially useful when separate computer codes (which may be written in any standard computer language) already exist to solve different parts of a multiphysics problem. LIME provides the key high-level software (written in C++), a well defined approach (with example templates), and interface requirements to enable the assembly of multiple physics codes into a single coupled-physics simulation code. ...

<Temporarily Unavailable Online> This project is aiming at completing a library of open codes (mainly based on MATLAB at present) to deal with Dipoles-Cavity Interaction problems. Common methods, including Green's function method and Master Equation method et al, will be applied to the coding. Samples of calculations and standard comparison with publications using the library will be given for demonstration of the usage.

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.

The ESCL is a class library that can be used to develop electronic structure codes like those that are used in computational condensed matter physics. An object-oriented approach is suitable since real-world items like atoms and electrons are modeled.

chamber is a reactive hydrodynamic modeling tool specifically designed for small arms interior ballistics research. Multiple equations of state and burn models are supported. chamber is an adaptation of the BKW, SIN, 2DL and 2DE codes in one package.

BeamGoo is a GUI front-end for linear accelerator particle simulation codes. It currently supports Impact-t, and is designed to be easily converted to other systems. It is built entirely in TCL, and is platform-independent.