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An analytical generalized Born model to calculate electrostatic solvation energy that accurately reproduces the linearized Poisson-Boltzmann equation. More about this method is explained in J. Phys. Chem. B, 111, 3055-3061 (2007).
Diofantos is a library for the solution of equations that arise in physics. It deals with ordinary differential equations (ODE), partial differential equations (PDE), including grid generation, and integral equations.
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GVIB is a user friendly package for vibrational analysis. Given a molecular geometry, it will calculate vibrational frequencies and intensities using anharmonic internuclear potential.
FRIDA (flexible rapid interactive data analysis) is a generic program for manipulating, fitting, and plotting x,z,y data. It is primarily aimed at spectral analysis, especially in neutron scattering. Note: project has moved away from sf.net.
HYP CFD is a structured, 3-D Navier-Stokes, MPI parallel multi-block computational fluid dynamics program for fluid thermophysics research, and high speed aerospace vehicle and propulsion applications.
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Eiger is an electromagnetic software for frequency domain analysis. It consists of physics models for 2D and 3D electromagnetic scattering, radiation, and penetration problems. It contains Green's functions for periodic and layer medium.
This project provides a simple atmospheric model as a Fortran 90 library.
The model solves some of the most important processes of the tropical climate system, and is suitable for example for studying ocean/atmopshere interactions.
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.
This is an extension to the standard 2D HF package (A Numerical Hartree-Fock Program for Diatomic Molecules by Jacek Kobus, Leif Laaksonen and Dage Sundholm) that adds some extra functionality.
Fortran tools to write standardized NetCDF output for a variety of ocean circulation models. The files contain required metadata to be compatible with DMACS standards. And a C++ particle trajectory tool reads NetCDF files to make particle paths.
This library is a Fortran 95 gnuplot interface for some Unix like OS'es. This provides some routines that enables direct access of a child gnuplot session from a Fortran 95 program. You will need a copy of fortranposix to make this work.
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.
The fst2v5d package converts data stored in the Canadian RPN Standard File (FST) format into Vis5D format. FST files, commonly used to store meteorological data, are scanned by fst2v5d to generate both 4D fields and independent topography input files.
PFMD performs a Molecular Dynamics simulation of some polarizable fluids at the liquid state by means of a dissociable potential. Supported molecules are H2O (water) and MX3, where M is a metal among Al, Fe, or Ga and X is a halogen among Cl, Br, or I.
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.
Two dimensional (2D) fine mesh finite element (FE) grid editing system. Includes constrained Delaunay triangulation, and automated grid resolution changes based on local attributes. Win32 and Motif GUIs. Mature application, now going open source.
In many parallel scientific applications the process of grid generation, decomposition, message passing, and performance measurements are of similar stucture. The projects intention is to develop a generic function library that will contain all these.
Blit contains a group of highly efficient iterative sparse solvers that can handle multiple right-hand-sides (i.e. block solvers). We will implement BLQMR, BLGMRES and other block algorithms in MATLAB, FORTRAN 90, C/C++, CUDA and OpenCL.
Set of scripts based on gaussian optics, which allow you to analyze the image waist created from a gaussian beam, and quickly determine 1-lens and 2-lens mode matching configurations to match a beam waist to another waist size
This script fills in a two dimensional surface with an unbroken, non-overlapping path. The path direction is random, so one can imaging a chess board filled with dominos, with the constraint that the layout of the dominos is complete (board is filled) an