Search Results for "open-shell" - Page 21
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Showing 1001 open source projects for "open-shell"
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Charybdis is a Python-driven set of applications for solving partial differential equations on irregular domains.
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newbpotcoul
newbpotcoul: CI-based nanoelectronic device simulation package
newbpotcoul: CI-based nanoelectronic device simulation package. Copyright (c) 1995-2011 by Klaus Michael Indlekofer. All rights reserved. Note: Special restrictions apply. See disclaimers below and within the distribution. (We are not affiliated in any way with companies/persons mentioned above. All brand names and trademarks are property of their respective owners.) -
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whiskersim
whiskersim: MCSCG-based nanowire device simulation package
whisker: MCSCG-based nanowire device simulation package. Copyright (c) 1995-2011 by Klaus Michael Indlekofer. All rights reserved. Note: Special restrictions apply. See disclaimers below and within the distribution. (We are not affiliated in any way with companies/persons mentioned above. All brand names and trademarks are property of their respective owners.) -
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Parallel Colt is a multithreaded version of Colt - a library for high performance scientific computing in Java. It contains efficient algorithms for data analysis, linear algebra, multi-dimensional arrays, Fourier transforms, statistics and histogramming
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The Physics eXtension Library (PXL) is a C++ toolkit for fourvector analysis and hypothesis evolution in high energy physics data analysis.
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Messdatenauswertung für AR65 und WESPHOA Verwendung für die Photoemissionsanlagen der Arbeitsgruppe EES am Institut für Physik der Humboldt-Universität zu Berlin.
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VISPA is a novel development environment for high energy physics analyses, based on a combination of graphical and textual steering. The main goal of VISPA is to support users in prototyping, performing, and verifying a data analysis of any complexity.
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fropho calculates phonon properties in crystal, which is based on Parlinski-Li-Kawazoe method. Information of forces acting on atoms when an atom is displaced is required as input information. fropho is going to be replaced by phonopy.sourceforge.net.
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A native Java port of freesteam - http://freesteam.sourceforge.net/ An open source implementation of international-standard IAPWS-IF97 steam tables from the International Association for the Properties of Water and Steam (IAPWS).
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MOPlot - visualization program for fast Molecular Orbitals Plotting (and other stuff - please, read the full description) from the outputs of the Gaussian 09-94, Molcas, Gamess/US, Firefly quantum chemical calculation packages.
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A framework to support scientific experiments: acquiring, visualizing, analyzing, and managing experimental data. Initially developed to support the experimental process on two beamlines at the Canadian Light Source synchrotron (lightsource.ca).
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Guidance to tiinker a small balloon, able to fly by hot air, made from cheap materials. Complete and easy, for kids from ten years up and adults, Source: LaTeX-text & pencil drawings, to use as .ps or .pdf -file (to print) Still only in german.
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Please use the MOHID code official site http://mohid.codeplex.com/, Thank you, The MOHID team
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haggies is an optimizing code generator. It can read in expressions in common notation and generate output for many programming languages including C/C++, Java, Fortran, Python and many others.
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The Fortran program MOLLY generates atomic positions in a molecule from those of a small number of prototype atoms and the molecule's point symmetry. It is intended as a time-saving aid in preparing input data for computational physics software.
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Fitta is a program for making and plotting statistical fits, simple and weighted fit, high quality plots thanks to the matplotlib library
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HRS Computing is a scientific software that simulates the Hyper Rayleigh Scattering (HRS), which is a nonlinear optics phenomenon.
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pyitc is designed for processing and analysing isothermal titration calorimetry experimental data (Microcal instruments).
