Search Results for "open-shell" - Page 17
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Showing 2293 open source projects for "open-shell"
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CFD2D
The incompressible Navier-Stokes equations solver in 2D domains
CFD2D is open source software for Linux for solving the non-dimensionalized incompressible Navier-Stokes equations (NSE) inside an arbitrary two-dimensional domain inscribed in a unit square with Dirichlet and "do-nothing" boundary conditions. The space discretization is based on Finite Element Method (FEM) using an approximately uniform triangular mesh. -
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runjags
The 'runjags' R package and standalone JAGS extension module
This package provides high-level interface utilities for MCMC models via Just Another Gibbs Sampler (JAGS), facilitating the use of parallel (or distributed) processors for multiple chains, automated control of convergence and sample length diagnostics, and evaluation of the performance of a model using drop-k validation or against simulated data. Template model specifications can be generated using a standard lme4-style formula interface to assist users less familiar with the BUGS syntax. A... -
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LOOS
Analyze molecular simulation data
LOOS is a light-weight object oriented software library for creating new tools for analyzing molecular simulation data, written in C++. The main design goal is to allow casual programmers to easily implement new analysis methods. THIS PAGE IS NO LONGER UPDATED. Please see https://github.com/GrossfieldLab/loos for all recent developments -
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GMES
GMES is a free Python package for FDTD electromagnetic simulations.
GMES is a free finite-difference time-domain (FDTD) simulation Python package developed at GIST to model photonic devices. Its features include simulation in 1D, 2D, and 3D Cartesian coordinates, distributed memory parallelism on any system supporting the MPI standard, portable to any Unix-like system, variuos dispersive ε(ω) models, CPML absorbing boundaries and/or Bloch-periodic boundary conditions, and arbitrary material and source distributions. GMES officially stands for GIST... -
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LBM3fm
LBM3fm - Lattice Boltzmann method for film flow modelling
This program provides the moment method boundary condition treatment for multi-phase flow modelling with lattice Boltzmann methods. For feedback, leave a review, leave a comment on the discussion page or send me a private mail. -
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Biskit is a python library for structural bioinformatics research. It simplifies the analysis of macromolecular structures, protein complexes, and molecular dynamics trajectories and offers a platform for the rapid integration of external programs. PLEASE NOTE: The Biskit source code as well as any later releases are now hosted on https://github.com/graik/biskit The sourceforge repo is only kept here for reference.
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FAST Simulations
An Open source Analysis and SImulation Toolbox for Fuel Cells
...Derivative works of FAST-FC include FC-APOLLO which is a forked branch of this project intended to capture the code state at the exit of the funded DOE project. FAST-FC is the open and active community branch. FAST-FC is developed and maintained by the original creator and developer, David B. Harvey. Features of FAST-fc include transport of gases and liquids, multi-step reaction kinetics, transient and steady state operation for performance and durability, and scalable dimensionality from 1D - 3D domains. ... -
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bta-image-model
A simple approach to modelling images provided by BTA 6-m telescope
This is a simple image modelling soft for 6-m telescope BTA with mirror aberrations and masking (to model hartnmannograms). -
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Tool support for creating FMC* diagrams [Block diagrams, Petri nets, Entity-Relationship diagrams (ERD)] in MS-Visio 2000 and newer. Features: stencils, consistency checking, Petri net simulation, exporter e.g. pdf, ... *Fundamental Modeling Concepts A stripped down version of the stencil set is available for TAM (Technical Architecture Modeling of SAP). This set uses UML notation and contains Block, Activity, Sequence, State, Class, and Component diagrams. It doesn't contain Simulation,...
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Factory Hardware Emulator
Emulate MODBUS industrial network with devices.
FactoryController testing/verification tool. Simulate MODBUS-TCP industrial network with set of devices. Update 2017: Hardware Emulator project has been integrated to main FactoryController codebase and this repository is obsolete. -
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C-Tools
Input file preparation tool for DFT codes
This application can produce input files of various applications for density functional theory (DFT) calculations via user-friendly parameter adjustment using three-dimensional computer graphics (3DCG) and graphical user interfaces (GUI). Input-file conversion between different applications is also possible. Now C-Tools supports the three file formats for DFT codes, xTAPP, OpenMX, RSDFT, VASP and Quantum ESPRESSO(PWscf). -
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EVERTims is a real-time room acoustic simulation software based on EVERT beam-tracing library providing information of specular reflection paths of sound in a space.
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EVERT is an acoustic beam-tracing library. It is optimized for a moving listener with static geometry and sound source. It computes all the visible specular reflection paths up to the given reflection order.
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TAPIOCA
support software to enhance the usability of xTAPP by visualization
A tool of input-file preparation and visualization for xTAPP, an application of the first-principle calculation. By graphical user interface (GUI), this application helps xTAPP users for making input files, and visualizes results of wavefunctions, electron densities, and potential profiles into three-dimensional graphics from output files. -
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jarta
A Java library to model and fit ARTA processes.
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ViennaTS
The Vienna Topography Simulator
ViennaTS is a C++, OpenMP-parallelized Topography simulator, focusing on processing challenges for micro- and nanoelectronics. At its core is the Level Set framework, allowing for an implicit surface description of material surfaces and interfaces. Within this framework models for geometry manipulation such as boolean operations and chemical mechanical planarization have been implemented. The tool supports several etching and deposition models, essential for the understanding of... -
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ViennaMag
Macro/Micro Magnetic Simulator
ViennaMag is an open-source marco/micromagnetic simulator for modeling of nano-sizes magnetic devices. ViennaMag allows modeling of device operation under spin-current influence as well as under magnetic field. Thereby, this simulator is aimed to calculate magnetodynamics of devices including but not limited to magnetic memory (STT-MRAM, MRAM), spin-torque nano-oscillators, spin logic devices and etc. -
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ViennaSiSpin
Silicon spintronics simulator
The simulator is aimed to calculate surface roughness matrix elements for thin silicon films as well as spin relaxation by taking into account surface roughness and electron-phonon interaction. -
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RAPSim - Microgrid Simulator
An easy to use GUI enables electric source and grid simulation.
RAPSim (Renewable Alternative Powersystems Simulation) is a free and open source micro-grid simulation framework for better understanding of power flowing behavior in smart microgrids with renewable sources. It is able to simulate grid-connected or standalone microgrids with solar, wind or other renewable energy sources. The proposed software calculates the power generated by each source in the microgrid and then it conducts a power flow analysis. -
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QueueSimulator
Simulator of G/G/k queue systems used in computer networks.
QueueSimulator is a free software which aims to simulate primarily G/G/k queueing systems that are used in computer networks. But it can be used to simulate practically any stable queue system. -
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FERS is a simulator for common radar system designs. It supports both multistatic and monostatic radars,and both pulsed and CW systems. FERS processes an XML script file to produce output in a variety of formats.
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Econball
Equation of stock trading simplified to game of moving resizing balls
The econ theory is the value of buy and sell are usually equal, at whatever free market price at the time, so if we trade between 2 things, holding the total of those 2 equal eachother, then you can buy without anyone selling, or sell without anyone buying. Just change from one equal valued type to the other, and the total of all the A's and all the B's are scaled instantly to be the same amounts. Those who change to the majority side lose, and those who change to the minority side win,...
