Search Results for "open-shell" - Page 12
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Showing 1816 open source projects for "open-shell"
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BioFVM
3-D diffusion solver for biological problems
BioFVM is an open source diffusive transport solver for biological problems. It can solve for the diffusion of tens or hundreds of substrates on large 3-D domains. For simplicity, the code has minimal external dependencies. BioFVM was first published in: A. Ghaffarizadeh, S.H. Friedman, and P. Macklin. BioFVM: an efficient, parallelized diffusive transport solver for 3-D biological simulations. -
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Scripted Roulette
Simulation tool for the casino game Roulette
Scripted Roulette is an original application which helps you to develop and analyze new betting strategies for the casino game Roulette. Learn and understand more about the chances you really have to win. -
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That project aims at providing a clean API, and the corresponding C++ implementation, for the basis of Airline IT Business Object Model (BOM), ie, to be used by several other Open Source projects, such as RMOL, Air-Sched, Travel-CCM, OpenTREP, etc.
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NGSolve is a general purpose Finite Element Library on top of Netgen. With the basic library one can solve heat flow equations, Maxwell equations, and solid mechanical problems. Several add-ons are available for particular application classes. New paper: J. Schöberl: "C++11 Implementation of Finite Elements in NGSolve", ASC Report 30/2014, Institute for Analysis and Scientific Computing, Vienna University of Technology,...
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Spark is a physical simulation system. The primary purpose of this system is to provide a *generic* simulator for different kinds of simulations. In these simulations, agents can participate as external processes.
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Epidat
Statistical data analysis
Programa multiplataforma de libre distribución para el análisis estadístico y epidemiológico de datos. Free distribution cross-platform program for statistical and epidemiological analysis of data. Sitio web: http://www.sergas.es/Saude-publica/EPIDAT Souceforge: https://sourceforge.net/projects/epidat/ Wikipedia: https://es.wikipedia.org/wiki/Epidat -
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Nifty Sim is a high-performance nonlinear finite element solver, developed at University College London. A key feature is the option of GPU-based execution, which allows the solver to significantly out-perform equivalent commercial packages.
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Kinetic Model Builder
GUI for building, simulating and optimizing kinetic models.
A 3D graphical interface for building, simulating and optimizing Markov kinetic models in response to user defined time dependent stimuli. Models can be represented as either states and connecting transitions or interacting allosteric elements (see http://dx.doi.org/10.1085/jgp.201411183). Model parameters can be optimized by fitting model responses to user data. Optional user defined constraint equations for model parameters are parsed with EigenLab... -
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Heat transfer in a bar and sphere
Heat transfer in a bar and sphere using finite differences.
Simulation of the heat transfer in a bar and a sphere (1D) using finite differences in Matlab. Authors: -Jheyson A. Mogollon R. - jheyson260@gmail.com -Luca Meinardo - lucameinardo@gmail.com -Angie Xiomara González - angiegduque@gmail.com Current Version: 2.0 Date: 30/05/2017 -
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A star
it is an implementation of A* algorithm with examples of its usage.
A start (A*) is the algorithm for searching the shortest path in the weighted graphs. My implementation is provided with various interesting applications, i.e. 15 puzzle. This project is related to my other projects located at sourceforge as well: https://sourceforge.net/projects/path-finder-qt/ https://sourceforge.net/projects/shortest-path-graph-a-star/ For detail of A* algorithm see wiki page: https://en.wikipedia.org/wiki/A*_search_algorithm -
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e2aps
na
This old conversion app was meant to interconnect Elmer, Netgen, Gmsh, Tetgen, and Blender. Because of some unusual targets, it may still be of interest to some. -
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MuPIF
Multi-Physics Integration Framework (MuPIF)
Multi-Physics Integration Framework (MuPIF) is an integration framework, that will facilitate the implementation of multi-physic and multi-level simulations, built from independently developed components. The principal role of the framework is to steer individual components (applications) and to provide high-level data-exchange services. Each application should implement an interface that allows to steer application and execute data requests. The design supports various coupling strategies,... -
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Analog Insydes is a Mathematica toolbox for symbolic analysis of analog electronic circuits. This project provides a set of free add-ons to Analog Insydes, including a Java front-end and a native netlister for Cadence's Analog Design Environment (ADE).
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RoadRunner represents a state-of-the-art simulation library for SBML models. It is fast, portable and accurate. This projects hosts the library and tools using the library.
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Political economy library
Political economy simulation toolkit
Political economy library is a set of classes and accompanied tools for simulation of economy based on employment by companies, production of goods and consumption - EPC model. Actually it includes market-based model for research of the effects of Tobin tax. The library is based on Zarja library. -
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Simple Python Fixed-Point Module
Pure-python binary fixed-point arithmetic library
This Python module provides basic facilities for mathematics on fixed-point numbers. The number of fractional binary digits is tunable, allowing near-arbitrary precision arithmetic. Arithmetic & functions such as sqrt, exp, log, sin & cos are available. For the latest releases please visit https://github.com/rwpenney/spfpm -
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optpack
FE simulation based automatic global optimisation in modern Fortran
A collection of Fortran 2003, 90 and 77 routines, modules and programs for automatic simulation based global constrained optimisation. The initial application is for FE simulation of elasto-plastic buckling of steel rods aimed at tuning the hardening model. Unix shell scripts are used extensively. High concurrency is achieved with parallel multi-start global search and with parallel MPI FE. Powell's BOBYQA or LINCOA are used (not included in this package). Automatic mesh generation of 3D cylinders is provided + automatic boundary conditions, all via Fortran and shell scripting. -
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AcouSTO (Acoustic Simulation TOol) is a low-order BEM code to solve the Kirchhoff Integral Equation. An arbitrary number of scattering/radiating bodies, monopoles, and plane waves is allowed. Runs in parallel on MPI2-equipped clusters.
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JBioFramework
Growing suite of proteomics simulations for educational purposes
JBioFramework (JBF) is a set of two different chemical separations simulations (2D Electrophoresis and Mass Spectrometry) that are frequently used in chemistry, biochemistry and proteomics research. It is written in the Java programming language and will run on any and all systems that have the JVM installed. As we continue to develop the software over the coming months/years and attempt to quantify the success of our efforts with testing and reviews, user input is very important. Please... -
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Under this name are enclosed a number of applications useful to study the scattering of waves by (nano)particles of different shapes.
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Stochastic simulator for signaling pathways occuring in biological cells. Handles reaction-diffusion processes in 3D tetrahedral meshes. Please check our new repository: https://github.com/CNS-OIST/STEPS
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RAtom
solves nonlinear Kohn-Sham equation for the neutral atom.
RAtom solves nonlinear Kohn-Sham equation for the neutral atom. The adaptive algorithm based on finite element method (FEM) is implemented. Discretization of the differential eigenvalue problem is done by finite element method with Lobatto polynomials as a basis functions. High order Gauss quadratures are applied in order to obtain the total energy of atom with absolut accuracy of 1E-6 hartree. Disctretization leads to generalized eigenvalue problem, which is solved by procedures from... -
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The Virtual Geometry Model (VGM) provides abstract interfaces to geometry objects and functions for conversion between supported geometry formats (Geant4, Root, GDML, AGDD).
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experix laboratory control system
instrument control, data acquisition display and analysis
Experix is a command-line driven environment for laboratory data acquisition and device control and graphical presentation and analysis of data. Written in C for GNU-Linux . Tested on PC and Raspberry Pi. The core is written very generally in order to support applications by means of script files. Device interfaces: PCMCIA daq (2 devices tested) via kernel module with interrupt handler and memory-mapped data; USB daq (1 device tested) using libusbx; running an equipment servicing program... -
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RSchr-5
Solves one-electron Schrödinger equation, with SLEPc and PETSc
RSchr-5 calculates the smallest eigenvalues of the one-electron Schrödinger equation. The solved problem is defined on the finite domain, which is a box. The problem is solved with the zero Dirichlet boundary conditions. The implemented algorithm uses Finite Element Method with B-splines as basis functions. Disctretization leads to generalized eigenvalue problem. Program RSchr-5 solves the generalized eigenvalue problem by algorithms implemented in SLEPc amd PETSc libraries. It uses...
