Search Results for "open-shell" - Page 4
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Showing 97 open source projects for "open-shell"
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StormRT is a real-time multi-resolution analysis and compression package for data compression and temporal feature detection over multiple timescales.
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HydroSed2D is a two-dimensional numerical model for hydrodynamics and sediment transport on unstructured mesh.
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This code performs the finite volume numerical simulation of a general integrate and fire neuron model driven by a stochastic direct current input.
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GNU Pinch is a tool for the analysis of the energy consumptions of industrial processes. Given a process involving energy requirements, the program delivers a report of the most efficient heat exchanger network in terms of consumption and fixed costs.
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This compact function parser module written in Fortran95 is intended for applications where a set of Fortran-style mathematical expressions is specified at runtime and is then evaluated for a large number of variable values.
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Ordinary Differential Equation (ODE) solver for Tcl. Handles both stiff and non-stiff sets of equations; does time-evolved initial value problems and root finding. Based on the popular Lawrence Livermore solver LSODE.
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Code_Aster Windows is the Windows port of the OpenSource FEM solver Code_Aster (www.code-aster.org).
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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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pyPulsar is a program for simulation and fitting of solid-state NMR spectra. It provides scripting facilities using Python. (This project was not developed for a long time: It will be soon moved in a new project currently developed)
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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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hybopt is a set of libraries to solve the identification and optimal control problems for hybrid (mechanistic/empirical) dynamic (ODE and DAE) models.
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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.
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Monte Carlo implementation for the "Mobile Charge Densities in Harmonic Oscillators" (MCDHO) Molecular Force Field for Numerical Simulations of Biological Systems
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There remains a need for an open, freely distributable Power Systems Analysis Package. This project aims to provide the underlying structure and APIs on which such projects can be built
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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.
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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
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CFDtools is a set of libraries to manage data format for CFD (mesh/grid and flow data). It provides additional tools for development of simulations softwares.
