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Showing 41 open source projects for "package"
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WavePacket (C++/Python)
Time-dependent simulation of open and closed quantum systems
Note: This package has been superseded by a Python-only package. See https://github.com/ulflor/wavepacket for the follow-up project. WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. -
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CAMPARI
Software for molecular simulations and trajectory analysis
...We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and analyzing molecular simulations, in particular of systems of biological relevance. It focuses on a wide availability of algorithms for (advanced) sampling and is capable of combining Monte Carlo and molecular dynamics in seamless fashion. CAMPARI offers the user a very high level of control over all implemented features. ... -
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ALAMODE
Ab initio simulator for thermal transport and lattice anharmonicity
ALAMODE is designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. Using the anharmonic force constants, you can also calculate lattice thermal conductivity from first principles. For more information about ALAMODE, please visit the following webpages: Documentation : http://alamode.readthedocs.io/en/latest/ git repository : https://github.com/ttadano/alamode -
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DoseInHumanBody
Patient dose from medical X-ray and other sources
...It is mainly used for patients undergoing X-ray examinations such as radiography, mammography, dental panoramic and CT but can be used for any kind of radiations. INTERFACE is a small program to compute the correction to dosimeter reading when used in conditions other than the calibration ones. This package does not contain all data required to run, i.e. does not contain GEANT4 libraries and GEANT4 nuclear data (for saving space). It does contain however the X-Ray spectrum data. Read README.txt me inside Build folder for how to fix it. Source code included. Also, available on GitHub: https://github.com/ZiliasTheSaint/DoseInHumanBody.git -
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MCTDHTools
A library to easily analyse output of the Heidelberg MCTDH code
...Also, it should enable more experienced users (== us) to write small, clean, and testable analysis programs, something that seems incompatible with the Fortran-77 code of the Heidelberg MCTDH package. -
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Hamilton Project is a software package concerning science and math in C++
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stellarics
Inverse Compton emission from heliospheres of sun and stars
Cosmic ray electrons scatter on the photon fields around stars, including the sun, to create gamma rays by the inverse Compton effect. This program computes the spectrum and angular distribution of this emission. The software also includes general-purpose routines for inverse Compton scattering on a given electron spectrum, for example for interstellar or astrophysical source modelling. For further information see these publications: http://arxiv.org/abs/astro-ph/0607563,... -
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Advanced Simulation Library
Free multiphysics simulation software package
Advanced Simulation Library (ASL) is a free and open source multiphysics simulation software package. Its computational engine is based, among others, on the Lattice Boltzmann Methods (http://en.wikipedia.org/wiki/Lattice_Boltzmann_methods) and is written in OpenCL (http://en.wikipedia.org/wiki/OpenCL) which enable extraordinarily efficient deployment (http://asl.org.il/benchmarks) on a variety of massively parallel architectures, ranging from inexpensive FPGAs, DSPs and GPUs up to heterogeneous clusters and supercomputers. ... -
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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. -
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WavePacket
Dynamics of quantum systems, controlled by external fields
...The Matlab/Octave version is mature and has been used in production for decades. The C++/Python version has been superseded by https://github.com/ulflor/wavepacket. Using tensor train techniques, the additional WaveTrain package aims at beating the curse of dimensionalit -
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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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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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ViennaWD
Classical and quantum semiconductor device simulation
The ViennaWD package provides a selection of simulation tools supporting classical and quantum approaches for semiconductor device simulation. -
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rarFit
Maximum Likelihood fitting programme using ROOT and RooFit
A maximum likelihood fitting package based on ROOT/RooFit for HEP. The fitting is driven by a text file and includes the following main options: 1) fitting, plotting and extraction of PDFs; 2) fitting of maximum likelihood models; 3) creation of projection and sPlot plots; 4) scanning about maximum likelihood minima; 5) combination of maximum likelihood curves with systematic errors for extraction of significance and combined errors; 6) toy studies; 7) means and pulls on fitted observables. ... -
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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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Seer
Seer is a multipurpose data analysis package for Monte Carlo data.
Seer is a multipurpose data analysis package for Monte Carlo simulation data, particularly for collider physics processes. Seer reads LHCO files and performs a variety of cuts and analyses on the data for either exploratory data analysis or reproduction of experimental studies. -
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MPI/C++ code to generate initial conditions for cosmological simulations using multiscale gaussian random fields, based on Edmund Bertschinger's GRAFIC-2 package. Provides a replacement for both grafic1 and grafic2.
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SIMBUCA (before called Simonion) is a simulation package that simulates the motion of charged particles under the influence of Electric and/or Magnetic fields. What makes Simbuca unique is that you can choose to calculate the Coulomb interaction between ions on a Graphics cards which is much faster than calculating this on the conventional CPU (reducing the simulation time from years to days).
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DXASCal is an open source (GPL) package for calibrating x-ray absorption spectra obtained from dispersive XAS beamlines.
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Photonics is a photon tracking Monte Carlo package, which calculates photon flux and time distributions in a heterogeneous medium surrounding a light source. The propagation medium and detector and light sources are highly customizable.
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galplot
Plot GALPROP output
Plot package for GALPROP https://sourceforge.net/projects/galprop Plots models and data for cosmic-ray spectra, secondary/primary ratios, gamma rays, synchrotron. Includes gamma-ray source population synthesis and corresponding plots. For gamma rays, convolves models with the Fermi-LAT response. This release is to assess interest. It requires many input data files (not included) which will be made available as required. -
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Discrete Dipole Aproximation Project
Plugin orientated Discrete Dipole Approximation (DDA) Solver
Discrete Dipole Approximation Project, is a software package designed to solve the Discrete Dipole Problem by the Discrete Dipole Approximation (DDA) method. This software is desgined to be plugin operated allowing for easy implimincation of new solver methods to improve the efficienty of the code. The plugin support also allow the program to write its output in multiple formats and structures defined by plugins. -
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psicode
An open-source quantum chemistry program package
PSI is an open-source program for computing molecular properties using high-accuracy, ab initio, quantum mechanical models. -
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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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cosmic ray database
Compilation of cosmic ray data from literature
...The format is described in detail at the end of the data file. References to data sources are included. Publication: http://arxiv.org/abs/0907.0565 See also the plotting package https://sourceforge.net/projects/galplot
