Search Results for "command line dynamic" - Page 8
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Showing 202 open source projects for "command line dynamic"
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ea-fold is a platform to perform protein folding simulations by means of evolutionary algorithms. The program implements a parallelized distributed evolutionary algorithms and a flexible force field.
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...Native code (fast) and modular design: update rule, topology, time, measurement, initialization are independant. No GUI (for now...): configuration file (commented default automatically generated) overridable by command line.
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This is an extension to the standard 2D HF package (A Numerical Hartree-Fock Program for Diatomic Molecules by Jacek Kobus, Leif Laaksonen and Dage Sundholm) that adds some extra functionality.
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KHorn is a universal easy to use CAS (Computer Algebra System). It will be usable for Physics, Chemistry, Mathematics and other natural sciences. KHorn is based on the GMP library.
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Stop vibe-debugging.AppSignal's MCP server hands Claude, Cursor, or Zed your real errors, traces, and the deploy that shipped them. AI writes the fix; you review the diff.
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sispread allows to simulate the dynamics of an hypothetic infectious disease within a contact network of connected people. It is intended to help people concerned by public health to easily perform epidemic simulations and to analyze their results.
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runsbml - Pathway Simulation Tool emulates the dynamics of biological pathways by calculating concentrations of biochemical compounds at different times and conditions.
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For a given signal, pstool calculates a one-sided power spectrum, i.e. the portion of a signal's power falling within given frequency bins. This is done by employing a one-dimensional real-to-complex FFT routine on an MPI cluster.
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The X-Ray Data Processing package enables ad hoc wrangling of data from x-ray experiments. A collection of software based on this library is also available.
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CHIMP aims to provide a complete suite of tools for the investigation and modeling of chemical systems. It currently is able to parse chemical reaction mechanisms and run kinetic Monte Carlo simulations on the reacting system.
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The fst2v5d package converts data stored in the Canadian RPN Standard File (FST) format into Vis5D format. FST files, commonly used to store meteorological data, are scanned by fst2v5d to generate both 4D fields and independent topography input files.
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X-Bc (formerly: xbc) is a graphical user interface to the command line calculator bc. All Inputs and Outputs stays visible for editing and comparing. Functionality: trigonometry, number-theory, exponential funcs, scientific constants, primenumbers ...
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van-der-Waals-Equation Calculator (vdw_calc) is a small command line tool to solve the van-der-waals-equation and calculate coefficients for different gases.
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Jhwctl provides a textgraphical user interface to access the LPT hardware port. [In the making: LPT/COM, FileTransfer, PCSP, VGA font, libSIOS/libTMET]
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XDiff is a program for numerical calculations of X-ray powder diffraction patterns of nanocrystals dispersed in a liquid phase
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Compton simulate the interactions betwen a laser beam and an electron beam to create high energy photons (X-rays).
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The High Energy Physics Tool calculates decay rates and cross sections of tree-level processes. It makes use of computational code from the CalcHEP package, and includes a GTK+ GUI.
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md-utils
Utilities to analyze molecular dynamics data
md-utils is a set of command line tools written in C designed to perform certain operations and analysis on the molecular dynamics data. The supported operations involve trajectory coordinate transformation to the COM system, Cartesian coordinate transformation to selected internal coordinates and to projected normal mode coordinates, trajectory merging, selecting subsets of trajectory frames, selecting subsets of atoms, permuting atoms, etc. -
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PhantomPhysics is a physics equation solving program geared towards students in a High School physics class. This program can solve for just about any variable for any equation you might encounter in High School physics. PhantomPysics is written in Java.
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IsoRet
Isoline retrieval
Contains tools and executables for performing isoline retrieval as described in the paper: Peter Mills (2009) "Isoline retrieval: An optimal method for validation of advected contours." Computers & Geoscience, 35 (11); 2020-2031. -
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