Search Results for "command line tools" - Page 2
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Showing 187 open source projects for "command line tools"
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JDFTx
Joint Density Functional Theory
JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information. -
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SidClock
*nix Sidereal Clock
*nix Sidereal Clock Application -
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SPINspiral
A gravitational-wave parameter-estimation code for LIGO/Virgo
SPINspiral is a parameter-estimation code for the analysis of gravitational-wave signals detected by LIGO/Virgo. -
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analyseMCMC
Analyse output from MCMC codes like SPINspiral and lalinference_mcmc
analyseMCMC post-processes, analyses and plots output from the LIGO/Virgo gravitational-wave inspiral parameter-estimation codes SPINspiral and lalinference_mcmc. -
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XMD is a program for performing molecular dynamic simulations on metals and some ceramics materials at the atomic scale. It models atomic energies and dynamics using user defined pair potentialsl, EAM potentials and some hard coded potentials.
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'isotope' is a small command-line utility to calculate the isotope pattern for a given chemical formula. It allows to run calculations interactively, in batch mode, via the command line, or (using a webserver) via a web interface.
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MesoRD is a stochastic and deterministic simulator of coupled chemical reactions and diffusions in space.
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bruread is a program to read and display NMR data in the Bruker XWIN-NMR format. The program has a command-line interface and a graphic display based on gnuplot. - Note that this is only an NMR spectrum *viewer*, not a full-fledged data evaluation suite
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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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APBS
Biomolecular electrostatics software
This software has moved to http://www.poissonboltzmann.org/. -
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A command-line tool for numerical reconstruction of digital holograms (formerly known as "HoloPlay")
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Finite Transform Library
A Library is for Finite Transforms
The Library is for Finite Transforms such as the Number Theoretic Transform (NTT) and Finite Radon Transform (FRT). Current modules include NTTW for NTTs with high resolution (microsecond) timing, basic array and imaging. The transforms are optimised for performance. -
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lottie vectors
Create, display and process 2D vectors in a 3D window.
...This could be a common math symbol or greek letter, start/end signposts, or a number of the position either from the begining or after a reset. After all the information has been loaded for your dataset. Either passed over the command line, or as a text file. Lottie Vectors displays inside a figure that you can resize, rotate and turn 2D positions into a 3D picture. -
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CIF2Cell
Generating cells for electronic structure calculations from CIF files
CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. The program has been published... -
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A Suite of Programs implementing a fast approach to the Debye Function Analysis (DFA) of powder diffraction data from nanocrystalline and/or non-ordered materials. See J. Appl. Cryst. 2015, 48, 2026-2032
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YCTget
Program to fetch datas from YC-7x7 dataloggers from YCT
We needed a datalogger, we found one. But the supplied VB6 program was very crappy, _really_ unusable, even on old XP machines. So I did mine, able to run under windows and linux. All the fun was to reverse the (binary) RS232 protocol. Our is a YC-727D with 2 thermocouple inputs, but the protocol is the same for 1, 2, 3 or 4 inputs models (YC-717, YC-727, YC-737, YC-747). Bytes orders needs to be checked for 3th and 4nd channels tough. -
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Inelastica
Transport code and tools based on SIESTA and TranSIESTA (DFT-NEGF)
NOTE: The Inelastica project moved to https://github.com/tfrederiksen/inelastica/ in February 2018. Pre- and post-processing tools for SIESTA (DFT, quantum chemistry) and TranSIESTA (quantum transport): (1) Calculate phonon frequencies, e-ph couplings, and inelastic contributions to the conductance (IETS). (2) Access Hamiltonian etc from Python. Some code documentation and installation instructions are available at this mediawiki page: http://dipc.ehu.es/frederiksen/inelastica/index.php. -
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JPIV
Particle Image Velocimetry
JPIV is a platform independent, graphical stand-alone application for Particle Image Velocimetry (PIV) written in Java. PIV is an optical technique for measuring fluid flow velocities. JPIV moved to GitHub. Please visit us at: https://eguvep.github.io/jpiv/ -
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Construct2D
COmputational fluid dyNamics STRUctured grid CreaTor for 2D airfoils
Construct2D is a grid generator designed to create 2D grids for CFD computations on airfoils. The grids are generated in Plot3D format. The only required input file is the set of coordinates defining the airfoil geometry, using the same format as XFoil, the popular vortex-panel code for airfoil analysis. Construct2D can create grids with O topology (recommended for airfoils with a blunt trailing edge) or C topology (recommended for airfoils with a sharp trailing edge). Now available in... -
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Acoustic Research Tool (ART)
Acoustic Simulation Library for Frequency and Time Domain Simulations.
ART is a flexible simulation framework for wind instruments. It includes a growing library of modelling elements. So far bore discontinuities, branches, tone holes, cylindrical and conical tubes, Bessel horns and bent tubes are available for frequency domain modelling. In the time domain generic bidirectional propagation elements, scattering elements, fractional delays, convolution with reflection functions and general z-domain networks are available and can be described using MuParserX... -
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Elastolix
Elastolix converts elastic moduli.
Elastolix takes any 2 of 6 elastic moduli and calculates the remaining 4. There is a command line tool, named elastolix and a tool with a graphical user interface made with lazarus. Releases for macOS will always be first, others should always follow shortly after. -
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datasw
datasw, a tool for rapid processing of HPLC-SAXS data.
Small-angle X-ray scattering (SAXS) in solution is a common low-resolution method which can efficiently complement high-resolution information obtained by crystallography or NMR. Sample monodispersity is key to reliable SAXS data interpretation and model building. Beamline setups with inline high-performance liquid chromatography (HPLC) are particularly useful for accurate profiling of heterogeneous samples. The program DATASW performs averaging of individual data frames from HPLC-SAXS... -
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MSU's Sparse Fourier Repository
The Home of DMSFT, AAFFT, GFFT, and MSFFT.
A collection of sparse Fourier transform codes developed by faculty at MSU. Currently codes for four different prototype sparse FFTs are here: 1.) DMSFT, implemented by Ruochuan Zhang. This is a fast, stable, noise robust, and *fully discrete* improvement on the ideas in GFFT below. It is THE BEST sparse FFT around!!! If you're looking for AAFFT, try this out first. 2.) AAFFT, implemented by Mark Iwen in 2008. This code is easy to use, and documented well, but not implemented...
