Search Results for "force-quit"
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Showing 24 open source projects for "force-quit"
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QMCF2
Quantum Mechanical Charge Field - Molecular Dynamics
QMCF2 is a molecular-simulation package for molecular dynamics, Monte Carlo, geometry optimization, molecular mechanics, and combined quantum-mechanical/molecular-mechanical calculations. The source includes force-field, electrostatics, constraints, thermostats, pressure control, water models, QMCF/QM-MM, external-QM interfaces, conversion tools, and analysis utilities. Interfaces are available for xTB, DFTB+, Gaussian, Turbomole, CRYSTAL, and ASE-based workflows. External programs must be installed separately. Installation: open the Code tab and download or clone the complete repository. ... -
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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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DoSA-3D
3D open source actuator simulation software
DoSA-3D is a 3D open source software for magnetic force analysis of actuators and solenoids. Not only individuals but also companies can use the program for free and participate in the development of it themselves. The program environment is developed to be similar to that of product development, so even product developers who have not majored in analysis can easily analyze the magnetic force of actuators. -
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DoSA-2D
2D open source actuator simulation software
DoSA-2D is a two-dimensional open source software for magnetic force analysis of actuators and solenoids. Not only individuals but also companies can use the program for free and participate in the development of it themselves. The program environment is developed to be similar to that of product development, so even product developers who have not majored in analysis can easily analyze the magnetic force of actuators or solenoids. -
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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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2D Structural Analysis
Determine the bending moments, shear forces, axial forces and displace
2D Structural Analysis in Python by Ritchie Vink A collection examples of 2D Finite Element Analysis (FEA) made with Jupyter Notebook Lab - https://jupyter.org/ To install Jupyter - https://jupyter.org/install ===== App is available on Play Store -> https://play.google.com/store/apps/details?id=com.ulm.struct If you want to download a python editor for your android smartphone follow this link -> https://play.google.com/store/apps/details?id=com.ulm.python -
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Molecular Dynamics Studio
Molecular Dynamics Cell Construction
...NanoEngineer-1 is a molecular CAD software written by Nanorex and provides the user an easy way to create molecules, while the software modifications allow the user to type atoms using multiple force fields. PACKMOL can generate a random collection of molecules using the molecule templates from NanoEngineer-1 thus providing the initial MD cell. Modifications to PACKMOL allow the atom type data to be passed through to the MSI2LMP software. MSI2LMP creates a LAMMPS input file based on class I or class II force fields. MSI2LMP was modified to use numerically coded force field data generated by NanoEngineer-1. ... -
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ParamIT
a Toolset for Molecular Mechanical Force Field Parameterization
ParamIT is a toolkit aiding the development of molecular mechanical force field parameterization of small, drag like, molecules within CHARMM general force field (CGenFF) protocol. The developed toolkit helps the researchers in following ways: 1) automating the creation of multiple input files for quantum and molecular mechanics programs, 2) automating the output analysis and 3) substitute the use of full MM programs with a faster specialized one. -
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PF_HP
Prediction of proteinfolding in 2D HP model
Even in the simplified two dimensional HP-model (hydrophob/polar) the prediction of proteinfolding is NP complete. We implement a brute force algorithm with serial and parallel execution to solve short inputs of HP sequences (0-1 bitstrings). Selbst im vereinfachten zweidimensionalen HP-Modell (hydrophob/polar) ist die Proteinfaltung bereits NP-vollständig. Hier implementieren wir einen brute-force Algorithmus zur Lösung kurzer Eingabesequenzen (0-1-Bitstrings) für die Proteinfaltung. ... -
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experix laboratory control system
instrument control, data acquisition display and analysis
...Interfaces accessible via commands and scripts: file i/o modelled on stdio and stdlib; usb control and bulk transfers; socket operations; webcam; graphics via framebuffer. Applications (not all available yet for download) include: cell poker (like an atomic force microscope); tissue mechanical tester; fluorescence photobleaching; alternating laser excitation fluorescence; fluorescence intensity distribution analysis; iverilog simulation analysis. -
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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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GRAVITY ALPHA 1.05
Visualization of gravitational force effects between (two) objects
GRAVITY ALPHA is developed for visualization of gravitational force effects between (two) objects. In order to predict/calculate object properties in future time (of course, within the limits of calculation) one need initial position and speed at some initial moment of time . For calculating positions and velocities, numerical method for solving differential equations is used. There is no limitation in parameters - object will behave just like they behave in the real world. ... -
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vTclFF_DensForce
Form-Finding of Cable Net Structures using the Force Density Method
vTcl FF DensForce is a software developed for form-finding of linear network elements working under axial force using the "force density" method. __________________________________________ vTcl FF DensForce es un software de busqueda de forma para mallado de elementos lineales trabajando a fueza axil utilizando el metodo de "densidad de fuerza". -
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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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...Please see new Website of the current sourceforge project PF_HP! Selbst im vereinfachten zweidimensionalen HP-Modell (hydrophob/polar) ist die Proteinfaltung bereits NP-vollständig. Hier implementieren wir einen brute-force Algorithmus zur Lösung kurzer Eingabesequenzen (0-1-Bitstrings) für die Proteinfaltung. Spende einen Cappuccino: Bitcoin: 1HqrdnfQgi9B4LW8UEvLAwh7X5gXPCoQ5B Litecoin: LeCx44jGjHxiVZ8f6MyumLTCxPcp3ePKJT Paypal: paypal.me/GerritLeder
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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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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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The openLBMflow is an fast fluid flow solver based on Lattice Boltzmann Method. Main future are 2D and 3D code, single and multiphase models, Output data in VTK format can be directly open in Paraview. Download Windows or Linux binary version now.
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This is the first force-matching software published with the ability to do general coarse-graining for molecular systems.
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Monte Carlo implementation for the "Mobile Charge Densities in Harmonic Oscillators" (MCDHO) Molecular Force Field for Numerical Simulations of Biological Systems
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