lammps
senpai
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lammps | senpai | |
---|---|---|
7 | 3 | |
2,049 | 84 | |
3.9% | - | |
10.0 | 0.0 | |
1 day ago | almost 3 years ago | |
C++ | C | |
GNU General Public License v3.0 only | GNU General Public License v3.0 only |
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lammps
- Lammps – A flexible simulation tool for particle-based materials modeling
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Efficiently spreading 1K + agents
Look into verlet lists or cell lists for your task, which are typically used with a discrete element method such as LAMMPS for what you seem to be describing.
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Where to find a dynamic charge density animation/simulation?
Your choices are an n-body simulation (e.g., LAMMPS) with Coulomb interactions or, if your electrons are sufficiently sparse, a particle-in-cell (e.g., Starfish). Your best bets for visualization are going to be matplotlib or something more user-friendly like Visit or Paraview. Without a neutralizing background, however, your electrons are just going to repel each other, hit the walls, and disappear - there's not going to be much interesting to visualize. What are you actually trying to simulate? With more information maybe you could receive some more targeted advice.
- Lammps Molecular Dynamics Simulator
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👀 Chem.py has started development 🎉 A python library for doing chemistry simulations!! It's open-source too!!!!
Is this just a personal /learning project? I see "chemical simulations" and think quantum-espresso, LAMMPS, NWChem, etc. If this is a personal project, I apologize for my bluntness above.
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If we invert the velocity of all molecules in a closed system, can we reverse its entropy?
Actually, the LAMMPS website has a similar example: Just hover over the "LAMMPS" logo in yellow and blue.
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Active Matter Simulation using LAMMPS
Modify the file to add what you need. In your case, modify the post_force functions in the files, since those will allow you to define the integration steps for the Vicsek model and its variations.
senpai
- SENPAI - A FOSS molecular dynamics simulator made with lots of love in C
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Anarchist software and science. Let's build free scientific software together.
Before my radicalisation to anarchism, I started work on SENPAI and released it as MIT software. I wanted to make computational chemistry free and open source to liberate the field.
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About to shove it all in 4U. Molecular dynamics simulation server.
I'm using my own software! It started out based on the AMBER force fields but it quickly evolved into its own thing. It's called SENPAI, and while I stopped pushing to GitHub like a year or so ago, I didn't remove it from there and its source is available -> https://github.com/Garuda1/senpai
What are some alternatives?
espresso - The ESPResSo package
SENPAI - Molecular dynamics simulation software
Blender-FLIP-Fluids - The FLIP Fluids addon is a tool that helps you set up, run, and render high quality liquid fluid effects all within Blender, the free and open source 3D creation suite.
polymer_chain - LAMMPS files to simulate a small polyurethane chain
The-Powder-Toy - Written in C++ and using SDL, The Powder Toy is a desktop version of the classic 'falling sand' physics sandbox, it simulates air pressure and velocity as well as heat.
chemispy - A library for using chemistry in your applications
openmm - OpenMM is a toolkit for molecular simulation using high performance GPU code.
awesome-python-chemistry - A curated list of Python packages related to chemistry
miniMD - MiniMD Molecular Dynamics Mini-App
PorousMediaLab - PorousMediaLab - toolbox for batch and 1D reactive transport modelling
plumed2 - Development version of plumed 2
matplotlib - matplotlib: plotting with Python