Search Results for "python user interface" - Page 2
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Showing 76 open source projects for "python user interface"
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tranci
Calculate electronic properties of transition metal atoms
Computational package to study transition metal atoms in surfaces, focusing on the effects of crystal field, spin orbit coupling and electronic interactions. Inputs are written in an user friendly interface, and creates a pdf and graphics with the results. -
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vecds - Visual Editor of Crystal Defects - A QT and OSG application for visualization of atom-embedded grids.
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WavePacket
Dynamics of quantum systems, controlled by external fields
WavePacket is a program package for numerical quantum-mechanics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations, as well as classical or quantum-classical Liouville equations. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate modern experiments involving ultrashort light... -
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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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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 THIS PAGE IS NO LONGER UPDATED.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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orbkit (Moved to Github)
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided. -
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f90lafg
Diffraction related calculations in Fortran 2003
full snapshots of CRYSFML code and parts of SXTALSOFT code -
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Control Interface Victor 86C, Voltcraft
Control Voltcraft Power Supply and Victor 86C Multimeter
ANNOUNCEMENT Project has moved to a proprietary website! http://www.instruman.it Updated source code available at https://instruman.codeplex.com/ This is an interface used to program and control Voltcraft DPPS-32-15 Power Supply, and to log data from Victor 86C Multimeter. It's an all-in-one solution to use the two instruments at the same time for Scientific, Research and Study purposes. Features avaible are the following: -Victor 86C USB HID connection protocol -86C data reading... -
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CPPLapack is a c++ class wrapper for BLAS, LAPACK and PARDISO. Its special features are the followings. [1]User-friendly interface [2]Hi-speed matrix calculations using BLAS and LAPACK [3]Minimized number of copy times using Smart Temporary system
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**we moved to github** https://github.com/gimli-org/gimli Geophysical Inversion and Modeling Library
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SPIW - Scanning Probe Image Wizard
Scanning Probe Image Wizard - MATLAB Toolbox
...For information on SPIW's performance see our publication ( http://dx.doi.org/10.1063/1.4827076 ) in the Review of Scientific Instruments. A related open-source project SPIEPy (https://pypi.python.org/pypi/SPIEPy/) is developing a python library to for automated SPM imaged enhancement. SPIEPy brings many SPIW algorithms to the Python user. -
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DEVSIM
TCAD Device Simulator
TCAD Device Simulator. DEVSIM is a semiconductor device simulation software, using the finite volume method. This software solves partial differential equations on a mesh. The Python interface allows the user to specify their own equations. -
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A toolkit in C++ and python to process both experimental and simulation data of colloidal particles. Includes among others * a multiscale particle tracking algorithm [1] whose C++ implementation is optimised for 3D confocal data. Python implementation is more versatile (2D and 3D data). * a Leica file reader, * Steindhard bond orientational order calculation * a VTK file writer 1. Leocmach, M. & Tanaka, H. A novel particle tracking method with individual particle size measurement...
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Muninn
A software package for estimating generalized ensemble weights in Mark
We have moved to GitHub: https://github.com/muninnorg/muninn As of July 2015 we have moved to GitHub. The SourceForge page will preserved, with the old releases. Muninn is a software package for estimating generalized ensemble weights in Markov chain Monte Carlo (MCMC) simulations. The method is full automated and makes use of the generalized multihistogram (GMH) equations for estimation the density of states [1]. The package is implemented in C++ and has a convenient interface. -
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SFrame is a C++ framework built around the ROOT libraries for analysing particle physics data. It gives a very high performance for processing data, by allowing the user to run his/her code on a distributed farm of machines.
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XNDiff
X-ray and Neutron powder pattern simulation analysis
Keywords (XNDiff): -SAXS -SANS -absolute units -core (double)shell crystalline nanoparticles -with a parallelepidal shape -particle assemblies -powder and ensemble average -C/C++ -Unix -OpenMP -HPC Cluster Keywords (BatchMultiFit): -simultaneous fits for several SAXS and SANS curves with simulation data from XNDiff -SANS data can be smeared with dq values from experimental data sets or analytical functions -Mathematica console -local and global optimizers (simulated... -
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Clip
Interactive program for evaluation of Laue diffraction patterns
Clip is an interactive program for simulation, indexing and refinement of Laue diffraction images. -
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A free, industrial quality library for simulating articulated rigid body dynamics - for example ground vehicles, legged creatures, and moving objects in VR environments. It's fast, flexible & robust. Built-in collision detection.
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is a molecular viewer & model builder for quantum chemistry programs. It has an interface with NWChem, CP2K and PC GAMESS/Firefly quantum programs. http://www.biomolecular-modeling.com/Products.html
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SphereSim
Physical simulation of particle movements
Physical simulation of particle movements. The computer program SphereSim simulates and animates the behavior and the movement of particles in a space. By forces (such as gravity in a particular direction and between the particles, repulsion of the particles against each other and from the walls, Lennard-Jones-Potential between particles) different physical effects in particle groups are calculated and shown, such as the Brownian motion. The application uses the programming language C++... -
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Handles Hexahedral, Tetrahedral, Quadrilateral, and Triangle meshes. Lagrangian, Hierarchic, and Monomial finite elements. Interface to PETSc solvers, adaptive mesh refinement, and extreme portablility.
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FOR DETAILED INFORMATION GO TO http://cernrootdebs.sourceforge.net Packages of Cern Root software for Ubuntu/64/32bits. This package is going to be installed on /usr/local. Enabled: minuit2 roofit unuran tmva from 5.34.01 Enabled support for asimage, astiff, builtin_afterimage, builtin_lzma, cintex, explicitlink, fftw3, fitsio, gviz, genvector, krb5, ldap, mathmore, memstat, minuit2, mysql, opengl, python, reflex, roofit, shadowpw, shared, ssl, tmva, unuran, x11, xft, xml.
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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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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...
