Search Results for "calculation"
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Showing 41 open source projects for "calculation"
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relax
Molecular dynamics by NMR data analysis
The software package 'relax' is designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, the investigation of stereochemistry in dynamic ensembles, and the analysis of relaxation dispersion data. -
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schur
Interactive Program For Calculating Properties Of Symmetric Functions
Schur is a standalone program for interactively calculating properties of Lie groups and symmetric functions. Schur has been designed to answer questions of relevance to a wide range of problems of interest to chemists, mathematicians, computer scientists,... -
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xrayutilities
a package with useful scripts for X-ray diffraction physicists
xrayutilities is a python package used to analyze x-ray diffraction data. It can support with performing diffraction experiments and used for common steps in the data analysis. It can read experimental data from several data formats (spec, edf, xrdml, ...); convert them to reciprocal space for arbitrary goniometer geometries and different detector systems (point, linear as well as area detectors); for further processing the data can be gridded (transformed to a regular grid). More... -
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Hyperspectral data analysis in R
Handling and basic analysis of hyperspectral data in R
The hsdar package contains classes and functions to manage, analyse and simulate hyperspectral data. These might be either spectrometer measurements or hyperspectral images through the interface of rgdal. -
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Advanced Trigonometry Calculator
Precision Trigonometry: Advanced Calculator for Complex Math
Advanced Trigonometry Calculator is equipped with a user-friendly interface that allows for easy input of problems and instant computation. Professionals such as engineers who need to perform advanced trigonometric calculations in their work will find this tool extremely useful. ATC Online Alpha: https://advantrigoncalc.sourceforge.io/atc/ More info by clicking below: https://advantrigoncalc.sourceforge.io/ Advanced Trigonometry Calculator was only and always only developed by... -
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rechne.exe
Command-line calculator and libray.
Easy-to-use command-line calculator for basic and scientific calculations. -
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G-Code Transformation Utility
Transformation utility to rotate coordinates in G-Code files
Coordinate rotation is useful when making PCB with 2+ layers. Based on a reference points (which are included in PCB production files during DIY manufacture) it is possible to layout different PCB layers during drilling, UV exposing, gluing &final cut. Each time PCB was dismounted from a CNC and mounted again, it will have some angle of rotation over a zero point (X=0, Y=0). Manual measurement of this rotation angle is performed with help of laser module mounted on the same CNC. For each... -
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GSvit
Fast FDTD solver with graphics card support
Fast FDTD solver with graphics card support. Optimized for nanoscale optics - scanning near field optical microscopy, rough surface scattering and solar cells. Uses CUDA environment for graphics card operation. -
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Decimal calculation library for C
Decimal calculation library for C programming language.
Decimal calculation library for the ANSI C programming language. Sums two 100000-digit numbers in one or two milliseconds. -
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SidClock
*nix Sidereal Clock
*nix Sidereal Clock Application -
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Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
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This is an implementation of post-process phonon analyzer, which calculates crystal phonon properties from input information calculated by external codes, e.g., first-principles calculation code.
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cgtkcalc
A simple calculator for complex number calculation.
A simple scientific calculator for complex number calculation. It requires the GTK+ toolkit. -
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Calculation of radiation view factors by adaptive integration. A cross-platform port of the public-domain code by George Walton.
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libunits
ultimative units calculation and conversion tool and library
The ultimative shared library to do calculations(!) and conversions with any units! Includes all SI and pseudo SI units and thousands of US, Imperial and other units. 10th of thousands of typical dimensions are recognised as well. An easy API for calculations is available as well as a ncurses based calculator providing RPN and algebraic mode. -
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program.MODULAR
MODULAR: Autonomous Computation of Modularity
MODULAR is a software developed to perform rapid and automatic calculation of modularity in sets of networks. MODULAR reads a set of text files with bipartite or adjacency binary matrices representing networks. The software can identify and define modules by two different modularity metrics widely used in studies with different types of networks such as social, ecological and biochemical networks. In order to find the network partition that maximizes modularity, the software offers five optimization methods to the user: simulated annealing, fast greedy, spectral partitioning, a hybrid of fast greedy and simulated annealing, and a hybrid of spectral partitioning and simulated annealing. ... -
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Kaidacity
Acoustic Analysis LV2 Plugins
Cross-Platform Acoustic Analysis LV2 Plugins intended for use in Audacity. At first this will include calculation of typical acoustic parameters from wav files and will hopefully extend into room acoustic analysis. -
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SSLTool is a Matlab based toolbox for bioelectromagnetic data (EEG/MEG) visualization, surface Laplacian calculation and modeling. It can compute surface Laplacian on realistic head surfaces given by a triangular mesh. It has a friendly GUI.
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Repository moving to https://github.com/cmendl/fermifab ! A quantum physics toolbox for small fermionic systems. Keywords: quantum mechanics, reduced density matrices, Slater determinants, second quantization, creation and annihilation operators
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Baby Calculator
Easy to use calculator
Baby calculator is a simple calculator. It's now been redesigned to be a children's calculator. It takes an expression, so the child can see the calculation he is entering. It's built with the Baby X toolkit. -
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endo-MCML
MC model of Endoscopic Optical Spectroscopy for tubular organ
...Inhomogeneous sphere can also be added in tissue layers to model cancer or other abnormal changes. The Endo-MCML is based on the MCML while some key algorithms especially the boundary hitting judgment and the reflectance/transmittance calculation are developed to meet the condition of curved boundaries. This model can be used for the forward modeling of light transport during endoscopically diffuse optical spectroscopy, light scattescattering spectroscopy, reflectance spectroscopy and other static optical detection or imaging technologies. -
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Cooldt
Cool-down time calculator for multi-layers pipe
Cooldt calculate the cooling duration of a multi-layers pipe in a cold environment. The duration to reach the “Final fluid temperature” or cool-down time (CDT) is calculated by solving the heat equation in cylindrical coordinates with a flux conservative formulation. -
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A cross platform dual channel FFT based Acoustic Analysis Tool to help engineers analyze live professional sound systems using the transfer function. One feature is the ability to capture four sample plots, average them, and invert to aid in final EQ
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ParaSim
Parallelized calculation of molecular similarities
Diversity assessments and comparisons of large compound databases require calculating similarities of millions of compounds in an affordable time. ParaSim addresses this challenge by parallelizing the calculations according to the number of computing cores available on a single machine. It is optimized for the throughput of very large numbers of query structures against very large numbers of reference structures. As as special feature, ParaSim allows to store and and to access frequently...
