Search Results for "force-quit"
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Showing 25 open source projects for "force-quit"
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Towhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields and the Gibbs ensemble with particular attention paid to algorithms addressing molecule conformation sampling.
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Zgoubi is a raytracing code. Since 1972 it pushes charged particles through accelerators and beam lines, by stepwise solution of Lorentz force equation - and their spins via Thomas-BMT differential equation. Zgoubi simulates beam dynamics and polarization in a variety of accelerators (storage ring, synchrotron, cyclotron, betatron, microtron, FFAG, multi-pass ERL, etc) and optical systems (beam lines, magnetic and electrostatic optical components, time-of-flight and mass spectrometers, etc). ...
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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. ... -
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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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lottie vectors
Create, display and process 2D vectors in a 3D window.
...The basic idea is simple, take a vector defined in one of a few different types of data formats and map it on the screen. Add another vector and you start to form a 'route'. Each route or position vector can be accompanied with a 'force' vector. This can be used to show something acting on a position with direction and magnitude. Finally you can give each position a tag to display on screen. 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. ... -
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Coffee-Physics
A simple, lightweight physics engine written in CoffeeScript
Coffee-Physics is a minimalist physics engine written in CoffeeScript that favors approachable, creative-coding workflows over heavyweight simulation frameworks. It models motion with a particle system and uses simple constraints and behaviors—such as gravity, attraction/repulsion, drag, and springs—to create believable movement with very little code. The design is intentionally composable: you attach behaviors to particles or groups and let the update loop integrate positions, producing... -
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Nanopuller
AFM puller control software
Nanopuller by Konrad Pawlak and Janusz Strzelecki http://dx.doi.org/10.1016/j.ultramic.2016.01.008 http://www.biofizyka.fizyka.umk.pl/ Laboratory made AFM force spectroscopy setups were present in milestone single molecule experiments and there is a growing number of groups using such equipment even though the commercial setups are nowadays widely available. The ability to tailor the setup accordingly to particular application is an advantage that makes the effort necessary for construction a worthy investment. ... -
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Pi-Space Physics Software
A Physics Theory for Unifying Classical, Quantum and Relativistic Phys
This is the Official Software of the Pi-Space Physics Theory created by Martin Brady. I have a B.Sc. in Computer Applications from Dublin City University and I have an interest in software implementation of Physics. The Theory includes a Quantum Theory of Gravity as well as a reworking of Classical versions of Newton's Formulas. The Theory is based on a set of Relativistic Diagrams called Pi-Space Diagrams for those new to the Theory. License :: Creative Commons Attribution... -
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RSS - Radial Stretching System
OpenSource radial stretching system for the scientific community
...We propose a desktop-sized, cost-efficient, and open source radial stretching system as an alternative to commercially available biaxial and uniaxial stretching devices. It allows for doubling the diameter of an elastomer membrane while measuring the applied force. Our development enables significant cost reduction (~300 €) and increase the availability of equibiaxial deformation measurements for scientific material analysis. Construction plans, source code, and electronic circuit diagrams are freely available under a creative commons license. RSS Website: http://www.somap.jku.at/rss/ -
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ANT.Gaussian
Quantum transport code based on Gaussian03/09
...Straightforwad use of ANT.G include the computation of the zero-bias conductance (or, alternatively, the electrical current under an applied bias voltage) of a variety of nanoscale systems such as molecular bridges or simply metallic atomic contacts as those created with scanning tunneling microscope or break junction techniques. The use of ANT.G may also be naturally extended to the computation of scanning tunneling spectroscopy and the simulation of scanning tunneling and electrostatic force microscopy. -
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MSP: a 3D flocking boids simulator
A highly flexible 3D flocking boids simulator, conceived as a tool for
...Each boid is conceived as an active agent and modelled by a point-mass approximation. Boid movements in a 3D space are guided by a set of elementary steering behaviors, each implemented as a force acting on the boid's point mass. Each boid is affected by interactions with both the environment and other boids. The set of considered behaviors are inspired by the well-known approach introduced in 1987 by C. W. Reynolds. The simulator delivers a 3D visual interface and provides as an output file all the instantaneous microscopic information related to each boid (positions and velocities over time), allowing in this way subsequent analysis, such as searching for synthetic and higher-level descriptions of collective behaviors, relying for instance on global network and meta-structural properties. -
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Gecko Hamaker
Calculates Hamaker coefficient,interaction free energy,force,torque.
The Gecko Hamaker open-source software project is a full implementation of the fully retarded Lifshitz formulations for isotropic and anisotropic plane-plane and cylinder-cylinder interactions with intervening interlayer materials, planar systems of up to 99 layers, and graded interfaces for the modeling of grain boundaries or other continuously changing systems, accompanied by a database of material optical properties spectra. The machine-readable optical property database is available... -
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potfit
potfit force-matching code
The potfit code uses the force-matching method to generate effective potentials from ab-initio reference data. -
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Force Calculator
Calculates mutiple forces in various angles.
Designed by B.J Erasmus and written in java. -
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C# Force Calculator
Calculates multiple forces in various angles.
This force calculator is the same as the Java Force Calculator with the bugs removed. -
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PyParticles
PyParticles is an opensource particles simulation tool box entirely wr
...It also offer a nice looking OpneGL interface or at your preference a Matplotlib based GUI. PyParticles as a forces models implements Gravity, spring, constant force and electrostatic and the user defined vector field force. As a integrations method it includes Euler, Midpoint, Runge Kutta, Störmer Verlet and Leap frog. -
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OFR Analysis Tool
For the analysis of output data from the OFR method
The OFR method is a type of steered molecular dynamics method for determining potentials of mean force (PMF) (Phys. Rev. E, 2011, 83: 021114) and local diffusion coefficients, D(z) (Phys. Rev. E, 2012, 86: 036707). OFR-AT is a fast and convenient program for analyzing large output data files from the OFR method, and returns the information necessary to quickly and easily calculate the PMF and D(z) in a spreadsheet. The software is described in detail in the following article: J. ... -
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HydroTurb
Software of water turbine locations in France
...Why this project If this project is so attractive is that it has a very strong double interest: - At First, the very subject of the project on tidal energy, which is one of the most interesting renewable energy for the future - Second, this project focuses on the potential energy in the French representing the places of possible locations of turbines on the French coast. Description of tidal energy The tidal energy consists of using the force and power obtained from waves and current. In our case, the principle is to place in current sea water turbines to obtained power. This source of energy is maybe the “best” for several reasons: - Ecological: no pollution (underwater, no emissions) - Economical: rentability very important quickly - Efficiency -
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Bugale N-Body Simulator
A simple N-Body simulator.
This project simulates the behavior, dynamics, and motion of a group of celestial objects. Given N point masses in a three-dimensional space, its present positions and velocities, and supposing that the force of attraction experienced between each pair of particles is Newtonian, the project approximately predicts it's positions and velocities at a future moment of time. The project can visualize the simulation, and create a graphic real-time output using FreeGLUT, and also have an option for textual output and archiving. Bugale N-Body Data Editor provides a graphic user interface for creating and editing the settings and body data files of Bugale N-Body Simulator. ... -
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SMMP (Simple Molecular Mechanics for Proteins) is a program library for protein simulations with an emphasis on advanced Monte Carlo algorithms. It includes various force fields to calculate the energy of a protein and protein-protein interactions.
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SURF-nanodots
Very basic computer vision program
...Originated in summer 2007 as a collection of C compiled for Matlab (MEX) files and was eventually ported to a standalone C++ application with a GUI created in Qt. This program takes atomic and magnetic force microscope (AFM/MFM) image pairs as input and uses threshold segmentation to identify magnetic nanodots by intensity in the AFM image. These are then used to assess the magnetic states of those dots in the MFM image Attribution: "C++ GUI Programming with Qt 4" by Blanchette and Summerfield was helpful in getting me started on the GUI. -
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All pairs n-body simulation of electromagnetic forces on charged particles, adapted from Nvidia SDK 3.2 sample. Uses Lorentz force from EM fields via the Biot-Savart law for moving charged particles (uses relative velocity). Relativistic.
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A program which simulates the motion of particles due to electric charge and gravitational force. Calculations are done in two dimensions, without care given to real world factors such as air resistance, although such functionality may be added later.
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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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Hotstop is scientific software that allows to extract experimental ion stopping force curves from RBS spectra (as well as to stimate uncertainities) It uses Simulated Annealing and Bayesian Inference algorithms.
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