A 2-D inviscid flow and adjoint solver on unstructured triangular grids. It makes use of a vertex-centroid finite volume scheme which is second order accurate. The adjoint solver is developed using the automatic differentiation tool called TAPENADE. Code has been moved to https://github.com/cpraveen/euler2d
Framework for blockstructured adaptive finite volume methods. Provides MPI-parallelized variant of the Berger-Oliger AMR algorithm for Beowulf-clusters. Uses Clawpack. Visualization and conversion tools for HDF4 files included.
Quantum transport for tight-binding and ab initio Hamiltonians
ANT.1D is a stand-alone quantum transport code for essentially one-dimensional setups described by tight-binding or ab initio Kohn-Sham Hamiltonians obtained from other codes working with atomic basis sets (Gaussian, Crystal,SIESTA). Interfaces with Crystal and Gaussian codes are available. Electrodes are described either by nanowires of finite thickness or Bethe lattice electrodes.
APBS is a software package for the numerical solution of the Poisson-Boltzmann equation, a popular continuum model for describing electrostatic interactions between molecular solutes over a wide range of length scales. <http://www.poissonboltzmann.org/>. Please register at http://goo.gl/LGVU5j before downloading!
Virtual Image containing the ARMNLIB development environment and the GEM model from the Meteorological Research Division of the Canadian Meteorological Centre.
AUTO is a publicly available software for continuation and bifurcation problems in ordinary differential equations originally written in 1980 and widely used in the dynamical systems community.
This library provides OCaml-interfaces to the BLAS- and LAPACK libraries.
BrennerMD is a public domain Fortran molecular dynamics program by Donald Brenner and other people. This project is to maintain the original source code and to build a Python interface on top of it.
Package for using CERN's MINUIT with C main program and fcn().
CP2K molecular dynamics code
CVM C++ Class Library encapsulates concepts of vector and square, band, symmetric and hermitian matrices in Euclidean space of real and complex numbers. It utilizes BLAS and LAPACK Fortran libraries. See http://cvmlib.com for binaries and more details.
DAFNE luminometer GEANT3 simulation, https://twiki.cern.ch/twiki/bin/view/LumiDet/WebHome
Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It can be used from MATLAB, Python, C++, or Fortran.
ChesROMS is developing a ROMS model of the Chesapeake Bay to help in the prediction of Harmful Algal Blooms. We hope to catalyze a new method of community modeling with involvement beyond the core researchers of the ChesROMS project.
Ultrascale Visualization Climate Data Analysis Tools
Ultrascale Visualization Climate Data Analysis Tools (UV-CDAT), is a powerful and complete front-end to a rich set of visual-data exploration and analysis capabilities well suited for climate-data analysis problems.
The program grib2v5d converts the content of a grib file (a format used for exchanging meteorological model fields) into a file that can be viewed with Vis5d, a popular program for 3-D visualisation of meteorological fields.
The DUNS (Diagonalized Upwind Navier-Stokes)code is a 2D/3D, structured, multi-block, multi-species,reacting, steady/unsteady, Navier Stokes fluid dynamics code with q-omega turbulence model. It currently uses a diagonalized ADI procedure with upwind diff
DataDraw3d is a library and a programm for interactive displaying different kinds of scientific data in the interactive manner. It use OpenGL and/or GDK drawing facilities to archive best performance on high variety of platforms.
A Suite of Programs implementing a fast approach to the Debye Function Analysis (DFA) of powder diffraction data from nanocrystalline and/or non-ordered materials. See J. Appl. Cryst. 2015, 48, 2026-2032
The Delta code is an nonlinear aeroelastic solver written in fortran 90. At the moment only vortex lattice aerodynamics is available but the hope is for a higher fidelity aerodynamic model to be developed for use in the current code. Linux and Unix.
Note: This project is no longer maintained. A newer version of the program is at https://code.google.com/p/digest2/. Statistical ranging for short arc moving object astrometry. Accepts atstrometry in MPC 80 charcater observation format, rates objects on likelyhood that they are yet-unknown near Earth objects.
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.
Approximate solvation free energy calculator
ERmod (Energy Representation Module) is a program to calculate the solvation free energy based on the energy representation method (J. Chem. Phys. 113, 6070 (2000)). The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation softwares, such as NAMD, GROMACS and/or AMBER.
A multidomain building performance simulation program.