Search Results for "open-shell" - Page 6
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Showing 1002 open source projects for "open-shell"
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DCT
Diffraction Contrast Tomography analysis code
Diffraction contrast tomography code base, as developed by researchers from beamline ID19 of the ESRF, Grenoble, France, and Manchester University, UK. -
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Tools for analysis of multiwavelength anomalous diffraction data collected on synchrotron beamlines, more specifically developed for grazing incidence diffraction on nanostructures.
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pyrpl
PyRPL turns your Red Pitaya into a powerful analog feedback device.
The Red Pitaya is a commercial, affordable FPGA board with fast analog inputs and outputs. This makes it useful for quantum optics experiments, in particular as a digital feedback controller for analog systems. Based on the open source software provided by the board manufacturer, PyRPL (Python RedPitaya Lockbox) implements many devices that are needed for optics experiments with the Red Pitaya. PyRPL implements various digital signal processing (DSP) modules (see features below). It allows to arbitrarily interconnect the available DSP modules and retrieve signal values on timescales below 1 ms. ... -
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SWAT-EM
Specific Winding Analyse Tool for Electrical Machines
SWAT-EM is a software for designing and analyzing of windings systems for electrical machines. Currently supported are rotating field windings (permanent-magnet motors, induction motors, synchronout reluctance motors) with any number of phases. This can be distributed full pitch winding, distributed fractional slot winding or tooth-coil winding. -
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An SNTP client for Virtual PC. It is for machines that do not have a sane time and a working hardware RTC. It synchronize the system time frequently with a nearby NTP server. It uses settimeofday(). It is based on RFC 1769 and RFC 1305.
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Gpredict
Real time satellite tracking and orbit prediction
Gpredict is a real-time satellite tracking and orbit prediction application. Gpredict can track an unlimited number of satellites and display the data in tables and various graphical view. -
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IRBEM-LIB
Project has moved to github https://github.com/PRBEM
*************************************************************** ********** IRBEM-LIB WAS MOVED TO GITHUB ********** ********** https://github.com/PRBEM ********************* *************************************************************** IRBEM-LIB provides routines to compute magnetic coordinates for any location in the Earth's magnetic field, to perform coordinate conversions, to evaluate geophysics/space-physics models, and to propagate orbits in time. -
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As of 2020, this project has moved. See https://mesastar.org. Release versions can be found on Zenodo at https://doi.org/10.5281/zenodo.2602941. The code is now hosted on GitHub at https://github.com/MESAHub/mesa. You can find the documentation at https://docs.mesastar.org/.
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CAELinux
Dedicated to computer-aided engineering Linux distribution
CAELinux is an installable live (USB) Linux distribution dedicated to open source engineering with a focus on Computer Aided Engineering and Scientific Computing. Based on Ubuntu, it features a ready to use workstation environment for open source product development, makers and scientist with many CAD/CAM/CAE applications for mechanical design, stress analysis, heat transfer, flow simulation and CNC manufacturing / 3D printing as well as electronic design tools and a complete development environment for scientific computing & mathematical modeling. ... -
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OS X Portable Applications
Portable OS X FOSS applications
OS X FOSS portable applications are packaged so you can carry around on any portable device, USB thumb drive, iPod, portable hard drive, memory card, other portable device (or also on your internal hard disk), taking your preferences with you. -
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Geophysical Library is a C++-library to handle geophysical data. At the moment the focus is on magnetotelluric and seismic data. It also includes a genetic algorithm for data inversion, signal processing and statistics routines.
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RMGDFT
Real Space Multigrid based electronic structure code.
News: active RMG development has moved to github https://github.com/RMGDFT News: V4.1.0 released on 09/29/2020 News: V4.0.0 released on 09/01/2020 with major updates. News: V3.0.0 released on 06/09/2018 with major updates. News: V2.2.2 released on 10/14/2017 with minor bug fixes. News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon. News: V2.1 with many improvements released on... -
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F3DM
Finite Element Method on 3D Meshes
f3dmlib is a FEM library that can read, write and analyse 3D tetrahedral meshes, minimize a given functional, and refine the resulting meshes. The minimization is parallelized with OpenMP. Three main features in unstable 1.8.x version (available via GIT): quadratic elements, periodic boundary conditions, and the solver for scalar and electromagnetic wave equations. f3dmgeom is a collection of a few simple tools for creating surface meshes for tetgen. It can handle simple geometries only. -
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APBS
Biomolecular electrostatics software
This software has moved to http://www.poissonboltzmann.org/. -
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calculate-curie
Calculates Curie temperature for honeycomb/hexagonal materials
Program to calculate Curie temperatures for hexagonal and honeycomb materials, as described in *2D ferromagnetism at finite temperatures under quantum scrutiny* by *Joren Vanherck, Cihan Bacaksiz, Bart Sorée, Milorad V. Milošević and Wim Magnus*. -
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PyZgoubi is an interface to the Zgoubi particle tracking code written in python. It aims to ease the use of Zgoubi by providing a simple interface to create beam line elements and particles, and to automate running and analysing of simulations.
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Rocstar Multiphysics Application
Parallel coupled multiphysics simulation application
Rocstar is a multiphysics simulation application designed to do fluid-structure interaction (FSI) across moving, reacting interfaces. Rocstar couples multiple domain-specific simulation packages and disparately discretized domains and provides several simulation-supporting services including conservative and accurate data transfer, surface propagation, and parallel I/O. Rocstar is MPI parallel and routinely executes large simulations on massively parallel platforms. Rocstar was originally... -
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Applications and device drivers for the EPICS real time database system (see http://www.aps.anl.gov/epics)
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OSDLab
Open Source Digital Laboratory
Open Source Digital Laboratory compatible with Arduino project. This software consists from C++/Qt programs such as dotScope (https://dotscope.sourceforge.io) - is a scientific shell for live experiment, dlCAM (https://dlcam.sourceforge.io) - computer aided manufacture for Arduino and others projects, img-map (https://img-map.sourceforge.io) - image digitaizer. -
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C++QED
A framework for simulating open quantum dynamics
C++QED is an application-programming framework for simulating open quantum dynamics in general. It has demonstrated the ability to simulate full Master equation of up to several thousand, and quantum trajectories of up to several hundred thousand dimensions. The basic idea is to allow users to build arbitrarily complex interacting quantum systems out of free subsystems and interactions (elements), and simulate their time evolution with a number of available time-evolution drivers. ... -
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labman2
A web database for experimental results of research
A database with a web interface for storing the experimental results of research, aimed at ease of adding new types of data. Goal is to make adding as simple as one day for an unexperienced in programming scientist to add a new type of data similar to an existing type, by preparing two - three files analogues to the existing ones. An experienced programmer should need only one day to one week for adding a totally new kind of data like arrays with more dimensions that was available before. -
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QMForge reads output from various quantum mechanical calculations and provides tools for analyzing these results. Specifically, population (Mulliken and C-squared), fragment, and charge decomposition analyses are available. See https://qmforge.net for more info.
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htcontrol
controls high-temperature single-crystal XRD experiments using IPDSII
htcontrol is a software to control high-temperature single crystal XRD experiments on a STOE IPDS II or 2T diffractometer platform. A Manson SDP2210 power unit is needed as well as the ICP DAS I7019 data acquisition interface (amount of investment approx. 600 EUR). htcontrol is written in Perl and runs on a cygwin platform to be installed on the WinXP/10 host. Data collections are performed with Stoe's WinXpose (>=1.7.3) via the non-interactive XML interface. For details see: J. Appl.... -
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NtuplizeAMSFiles
Create customized DST from AMS data files
Create customized DST from AMS data files
