Search Results for "open-shell" - Page 15
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Showing 2293 open source projects for "open-shell"
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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... -
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Gene-Environment iNteraction Simulator 2
A tool able to simulate gene-environment and gene-gene interactions.
Gene-Environment iNteraction Simulator 2 (GENS2) simulates interactions among two genetic and one environmental factor and also allows for epistatic interactions. GENS2 is based on data with realistic patterns of linkage disequilibrium, and imposes no limitations either on the number of individuals to be simulated or on number of non-predisposing genetic/environmental factors to be considered. The GENS2 tool is able to simulate gene-environment and gene-gene interactions. To make the... -
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A modeling and simulation tool for Routing problems on Graphs, tccrouter is a java desktop application that provides a 2d map for building graphs and simulating a variety of real world routing solutions: Shortest path, TSP, VRP, VRP-TW. Check Git repository. https://github.com/guilhebl/routerapp
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Cambridge Rocketry Simulator
Simulate high power rocket flights with splash down plots
...Running in Monte Carlo mode allows generates multiple possible flight paths and splash down plots, indicating the probability of landing in an area. Peer-reviewed publication in the Journal of Open Research Software (JORS) http://doi.org/10.5334/jors.137 "Cambridge Rocketry Simulator – A Stochastic Six-Degrees-of-Freedom Rocket Flight Simulator" -
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AirTSP
Simulated Airline Travel Solution Provider Library
...It is intended to be used in simulated environments only: it is not designed to work in the real-world of Airline IT operations. AirTSP/AirTSP makes an extensive use of existing open-source libraries for increased functionality, speed and accuracy. In particular the Boost (C++ Standard Extensions: http://www.boost.org) library is used. AirTSP/AirTSP is the one of the components of the Travel Market Simulator (http://www.travel-market-simulator). However, it may be used in a stand-alone mode. -
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ETFOMM (Enhanced Transportation Flow Open-source-simulation Microscopic Model) is sponsored by a US DOT SBIR Program. The objective of the project is to establish a transportation flow simulation software program and its Application Program Interface. ETFOMM can be used as a DLL as a substitute for CORSIM in the TSIS package. It is compatible with TRAFED and TRAFVU.
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A neuronal network simulator using NeuroML (as generated by neuroConstruct) for network description. Conductance- and rate-based Hodgkin-Huxley neuron models, and a number of other neurons & synapses. A 5-6-order RK method is used for integration.
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Ballistic Calculator
Open Source Ballistic Calculator in C#
!!! This project is currently CLOSED. There is a new version of API available under LGPL license at https://github.com/gehtsoft-usa/BallisticCalculator1 There is a new version of application in progress (ported to net framework 5.0) https://github.com/nikolaygekht/ballistic.calculator.app Ballisitic Calculator based on JBM's implementation 3-degree of freedom model, ported to C#, improved to support metric system and extended by some math from Litz's "Applied Ballistic"... -
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BATS
Bayesian Adaptive Trial Simulator
A user-friendly, quick simulator for Bayesian Multi-Arm Multi-Stage Trials -
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OpenFVM is a general open source three-dimensional Computational Fluid Dynamics (CFD) solver (for Linux and Windows). It uses the unstructured finite volume method to simulate non-isothermal transient flow. Gmsh is used for pre- and post- processing.
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Calculation of radiation view factors by adaptive integration. A cross-platform port of the public-domain code by George Walton.
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This project proposes a virtual laboratory for social scientists interested in the modelling, analysis and behavioral simulation of power relationships within organizations and more generally in systems of collective action. This software is grounded on the works lead by Sibertin-Blanc and Roggero on the formalization of the Sociology of Organised Action [Crozier and Freidberg]. Visit the homepage of the project on soclabproject.wordpress.com for tutorials, examples and further...
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Advanced Simulation Library
Free multiphysics simulation software package
Advanced Simulation Library (ASL) is a free and open source multiphysics simulation software package. Its computational engine is based, among others, on the Lattice Boltzmann Methods (http://en.wikipedia.org/wiki/Lattice_Boltzmann_methods) and is written in OpenCL (http://en.wikipedia.org/wiki/OpenCL) which enable extraordinarily efficient deployment (http://asl.org.il/benchmarks) on a variety of massively parallel architectures, ranging from inexpensive FPGAs, DSPs and GPUs up to heterogeneous clusters and supercomputers. ... -
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Rigs of Rods
A 3D simulator game where you can drive, fly, and sail
Rigs of Rods is a 3D simulator game where you can drive, fly and sail various vehicles using an accurate and unique soft-body physics engine. Since 2014, the development continued at https://github.com/RigsOfRods/rigs-of-rods UPDATE: 10/30/2016: removed opencandy installers, replaced with zip files. -
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COTSon scalable simulation infrastructure
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WirelessOverSim-INETMANET
Wireless characterstics in OverSim over OMNeT++ for simulation
This project aims to provide the wireless support in OverSim to simulate the P2P protocol over Mobile AdHoc Network or Wireless Mesh Network. Our project include the INETMANET-2.0 open source library to facilitate wireless characteristics. -
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Molecular Simulation Grid
Provides high performance computing power and state of the art tools
MoSGrid focuses on the configuration and provision of Grid services for molecular simulations and annotation of the results with metadata and their provision for data mining and knowledge generation. It is based on Liferay technology togethe with gUSE. -
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cupSODA
Deterministic simulator of mass-action based models
cupSODA is a simulator of biological systems that exploits the remarkable memory bandwidth and computational capability of GPUs. cupSODA allows to efficiently execute in parallel large numbers of simulations, which are usually required to investigate the emergent dynamics of a given biological system under different conditions. cupSODA works by automatically deriving the system of ordinary differential equations from a reaction-based mechanistic model, defined according to the mass-action... -
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Virtual Cell
Former home of the Virtual Cell platform (VCell), see http://vcell.org
This project and all source code has moved to GitHub, see https://github.com/virtualcell -
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GNUSim8085 is a simulator and assembler for the Intel 8085 Microprocessor. For downloading latest release please head to the website - https://gnusim8085.github.io/ For source code - https://github.com/GNUSim8085/GNUSim8085
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CITYOPT mission is to optimize energy systems in smart cities. The project will create a set of applications and related guidelines that support efficient planning, detailed design and operation of energy systems in urban districts.
