Search Results for "open-shell" - Page 17
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Showing 1001 open source projects for "open-shell"
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trafo
trafo is a console-based "E-I" transformer calculator
trafo is a console-based "E-I" transformer calculator. It allows you to easily calculate all the necessary information to build an "E-I" transformer by only providing a few input parameters. This programs is for all of those who don't want to spend more time calculating transformers manually amd would like some automation. -
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clupan is a tool for performing the cluster expansion and several Monte Carlo simulations in multicomponent alloys. clupan can be used for predicting ground state structures and evaluating phase diagrams on the basis of results of DFT calculations.
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PyParticles
PyParticles is an opensource particles simulation tool box entirely wr
PyParticles is an opensource particles simulation tool box entirely written in python. It support the most popular integrations methods and the most relevant forces model. It also offer a nice looking OpneGL interface or at your preference a Matplotlib based GUI. PyParticles as a forces models implements Gravity, spring, constant force and electrostatic and the user defined vector field force. As a integrations method it includes Euler, Midpoint, Runge Kutta, Störmer Verlet and Leap frog. -
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GPX is mainly a physics engine, written in C++, focused on real time simulations. Project also provides a graphics library, built on top of SFML. Physics part is independent from graphics library and can be used with any other front-end.
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SAC - Symbolic Analysis and Control
CAS routines for theoretical analysis of nonlinear time-delay systems
SAC (Symbolic Analysis and Control) is a toolbox for people working in control theory. It will help to the analysis and synthesis of nonlinear systems described by state equations (with or without delays). -
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OFR Analysis Tool
For the analysis of output data from the OFR method
The OFR method is a type of steered molecular dynamics method for determining potentials of mean force (PMF) (Phys. Rev. E, 2011, 83: 021114) and local diffusion coefficients, D(z) (Phys. Rev. E, 2012, 86: 036707). OFR-AT is a fast and convenient program for analyzing large output data files from the OFR method, and returns the information necessary to quickly and easily calculate the PMF and D(z) in a spreadsheet. The software is described in detail in the following article: J. Comp.... -
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The pySpec project is a set of data analysis routines written in python for analysis of x-ray diffraction data produced by the SPEC X-Ray Diffraction and Data Acquisition software. This repo has moved to : https://github.com/stuwilkins/pyspec
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PLASMAKIN: a chemical kinetics package
A library to compute the electron and chemical kinetics on plasmas
PLASMAKIN is a package to handle physical and chemical data used in plasma physics modeling and to compute gas-phase and gas-surface kinetics data: particle production and loss rates, photon emission spectra and energy exchange rates. -
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ScSpectrometer
School spectrometer, spectrograph, scpectroscope
Spectrometer software for school use. Application reads from "web camera" as input spectrograph patteren. -
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FLENS (Flexible Library for Efficient Numerical Solutions) is a C++ library for scientific computing. It can be considered as a very convenient and --- at the same time --- extremely efficient interface for BLAS and LAPACK. But it is much more than this
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elinfo_parabolic
To simulate parabolic motion
Application software to simulate parabolic motion depend on degree and initial speed given by user. Parabolic motion will be shown as simple animation in the application window. This application created at Elinfo "Roborace and Java IT Competition 2010" held by Universitas Negeri Yogyakarta. -
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A C++ class to enable prediction of the reflectance spectrum of two overprinted inks (i.e., solids), using the inverted Viggiano trapping equation.
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zephyr
Experiment automation
Zephyr is a script-driven experiment automation program that works various measurement instruments and actuators. It supports instruments from Agilent, Eco Physics, ICS Electronics, Keithley, Omega, Teledyne and other manufacturers. The script language is XML-based. Syntax highlighting is available. The source code is included in the distribution. Contact the project admin to get SVN access. -
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Blitz++ is a C++ class library for scientific computing which provides performance on par with Fortran 77/90. It uses template techniques to achieve high performance. Blitz++ provides dense arrays and vectors, random number generators, and small vectors (useful for representing multicomponent or vector fields).
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(We have migrated this project to github [June 1 2015)] http://github.com/msg-byu/enumlib). The source files have been removed from sourceforge. Go to github (link above) for the latest copy. <<<< OLD SUMMARY >>>> A Fortran 95 implementation of an algorithm for generating derivative structures of a parent lattice. The algorithm is discussed in detail in: Gus L. W. Hart and Rodney W. Forcade, "Algorithm for generating derivative structures," Phys. Rev. B 77 224115 (26 June 2008)...
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jCAE is a JAVA based environment for CAE applications. It provides meshing and visualization capabilities. It is targetted to run on a maximal number of platform.
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Spectra processing and analysis tools
SpecTools - an OpenSource software package for quant. spectra analysis
Automated Quantitative Spectroscopic Analysis Combining Background Subtraction, Cosmic-Ray Removal and Peak Fitting programmed in LabVIEW. Current version 1.1.0. Binaries and source available. -
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HOPSA, high oxygen pressure sputter automation, is a Python 3 project to control a step wise sample creation Process. Although written for this specific task it is easy to adopt for any experimental task which changes hardware parameters and waits for a specific condition before proceeding. The graphical interface (QT4) includes plotting (matplotlib), instrument configuration/monitoring and a program step creator. The communication with the hardware is independent of the GUI and any number...
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AGBStarViewer
AGBStarViewer is a best fit and plotting SW for AGB-star spectra.
AGBStarViewer is an astronomical SW which was developed as a part of my Master Thesis at the University of Vienna. It is designed to compare star spectra and obtain best fits of many hundreds spectra. Licence: GPLv2 -
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Mizar
N-body gravitational simulator
Mizar is an N-body gravitational simulator. Given a starting setup consisting of the masses, positions, and velocities of any number of objects (conceptually, planets and stars), Mizar calculates and draws how they subsequently move according to their velocities and the influence of each other's gravity. Requirements: * KDE 4.4.5 * Qt 4.6.2 Requirements to build: * KDE 4.4.5 dev files (e.g., provided by kdelibs5-dev in Ubuntu 10.04) * Qt 4.6.2 dev files (e.g., libqt4-dev on Ubuntu... -
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EPLF
Electron Pair Localization Function
The Electron Pair Localization Function (EPLF) helps to understand chemical bonding in molecular systems. This code uses a modified formulation which allows the exact calculation of the EPLF for usual wave functions (HF,KS,CAS,...) -
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jLab est une plate-forme scientifique destinée à être l'outil de travail privilégié des étudiants, enseignants, ingénieurs, scientifiques et chercheurs. jLab est totalement modulaire et facilement extensible via un système de modules
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FAZIA DAQ
The aim of FAZIA project is to build a 4Pi array for charged particles
The FAZIA project groups together more than 10 institutions in Nuclear Physics, which are working in the domain of heavy-ion induced reactions around and below the Fermi energy (10-100AMeV). The aim of the project is to build a 4Pi array for charged particles, with high granularity and good energy resolution, with A and Z identification capability over the widest possible range. It will use the up-to-date techniques concerning detection, signal processing and data flow, with full digital... -
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QSAS plug-ins
Plug-ins for the space physics data analysis software QSAS.
The project is concerned with developing new plug-ins for the space plasma analysis software QSAS. The plug-ins are developed mainly for the Cluster II mission, Champ and Swarm. QSAS can be downloaded from: http://www.sp.ph.ic.ac.uk/csc-web/QSAS/ -
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Compilation of Physics Calculators
A compliation of Physics derived claculators
A NEW GUI VERSION WILL BE RELEASED SOON! Thank you for visiting the Physics Calculator, provided by PIezoSystems Inc., please visit their company website at https://piezosystems.org. For other downloads, please visit our github page, https://github.com/PiezoSystems. We hope that you find this program useful and easy to use, for troubleshooting, please email us, contact@piezosystems.org. If any bugs were found, please email us at bugs@piezosystems.org.
