chemispy
A library for using chemistry in your applications (by TechPenguineer)
lammps
Public development project of the LAMMPS MD software package (by lammps)
chemispy | lammps | |
---|---|---|
4 | 7 | |
28 | 2,049 | |
- | 1.6% | |
0.0 | 10.0 | |
5 months ago | 6 days ago | |
Python | C++ | |
Mozilla Public License 2.0 | GNU General Public License v3.0 only |
The number of mentions indicates the total number of mentions that we've tracked plus the number of user suggested alternatives.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
chemispy
Posts with mentions or reviews of chemispy.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2021-09-24.
-
👀 Chem.py has started development 🎉 A python library for doing chemistry simulations!! It's open-source too!!!!
Pip install inctructions in readme: (Click here for readme)[https://github.com/TechPenguineer/chem.py/blob/main/README.md]
- 👀 Chem.py has started development 🎉 A python library for doing chemistry simulations!! It's open-source too!!!! View it here to get the latest updates:
-
Chem.py
Click here
lammps
Posts with mentions or reviews of lammps.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2022-12-01.
- Lammps – A flexible simulation tool for particle-based materials modeling
-
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.
-
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
-
👀 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.
-
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.
-
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.
What are some alternatives?
When comparing chemispy and lammps you can also consider the following projects:
chanim - Animation engine for explanatory chemistry videos
espresso - The ESPResSo package