Physics
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APBS 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/>.
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MaxFEM Software for electromagnetism simulation
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IFEFFIT: Interactive XAFS Analysis IFEFFIT is a library and set of interactive programs for the analysis of x-ray absorption fine-structure (XAFS) data. IFEFFIT combines state-of-the-art analysis algorithms with graphical display of XAFS data, and general data manipulation. It can be
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cca-forum Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.
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Advanced Numerical Instruments 2D Advanced numerical instruments: adaptive meshing, FE methods, solvers
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MRCWA MRCWA - Multilayer Rigorous Coupled Wave Analysis is a fast, flexible optical grating solver. It calculates an exact solution to the Maxwell equations for the diffraction of light from an optical grating with arbitrary profile and materials.
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SpacePy Space Science library for Python - contains superposed epoch classes, drift shell tracing, access to magnetic field models, streamline tracing, bootstrap confidence limits, time and coordinate conversions, etc.
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Larch: Data Analysis for X-ray Spectra Data Processing and Analysis for X-ray Spectroscopy and More
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Fosite - 2D advection problem solver numerical simulation code solving transport equations in 2D
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Brenner Molecular Dynamics 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.
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LibCPIXE LibCPIXE is a library for simulation of Particle Induced X-ray emission spectra.
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SMMP SMMP (Simple Molecular Mechanics for Proteins) is a program library for protein simulations with an emphasis on advanced Monte Carlo algorithms. It includes various force fields to calculate the energy of a protein and protein-protein interactions.
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freesrs python library for shock response spectrum (SRS) analysis.
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Epler The epler project's main intention is to provide a library with bindings to C++, and eventually C, Python and Fortran for manipulating, analyzing and visualizing large datasets. Building frontends on top of this isolated library is also planned.
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OpenGMF Open-GMF is an open Ground Water Modeling Framework for hydrogeologists and reservoir engineers. It is an extensible development environment for finite-difference, finite-element, and finite-volume models tailored to specific problems.
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Parallel Seismic Earth Imaging System The Parallel Seismic Earth Imaging System (PSEIS) is designed for geophysical research and parallel processing of large datasets. Interoperation and emulation are used to leverage other seismic processing software, existing skills and infrastructure.
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Solving Tasks of Diffraction The aim of project is creating program environment for solving some integral equations, arising at solving mathematical problems of the diffraction theory.
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Telluride Telluride is a Los Alamos National Laboratory project for simulation of metal casting and welding - free-surface incompressible flow with heat transfer (conductive, convective, and radiative), phase change (melting and solidification), and other physics.
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oracS A parallel molecular dynamics and modelling program
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pyviews Simple Python class for managing tables of data in memory using NumPy. It allows to give names to views of array. The package contains few classes built on top of the basic one to be used as post processing tools for particle optics computations.
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