LAMMPS tutorials

The LAMMPS tutorials initiative is now a @GitHub organization ! You can follow it here : github.com/lammpstutorials In the future, the organization plans to welcome more members to ensure better maintenance and continuity. The website is still visible here : lammpstutorials.github.io

On the side note, this is the last communication done here. Future communication will take place here : @lammpstutorials" target="_blank" rel="nofollow noopener">mstdn.science/@lammpstutoria…

The LAMMPStutorials are now available as an article [🔗 arxiv.org/abs/2503.14020] Written in collaboration with Jake and Axel (LAMMPS developers), it is a significant improvement over the current online version (which is going to be updated eventually). #lammps #opensource

The LAMMPS Tutorials organization has a new logo, inspired by the official LAMMPS logo. This update comes as we prepare for an upcoming publication using LAMMPS, and a major update of the LAMMPS tutorial website. Check it out: github.com/lammpstutorials

Interested in coupling LAMMPS (@LAMMPS_MD) with Machine-learned interatomic potential ?

A new tutorial on the REACTER protocol in LAMMPS will soon be available in the LAMMPS tutorials website. For the first time, it is being written in collaboration with the LAMMPS developers. Follow the progress on GitHub: github.com/lammpstutorial…

On a side note, for GCMC calculations, GOMC is much faster than LAMMPS. This isn't surprising, as LAMMPS is primarily a Molecular Dynamics code and isn't optimized for Monte Carlo simulations.

@peterfalkingham @LAMMPS_MD @GravelleSimon I doubt it, but it seems that LIGGGHTS has a GUI of its own: cfdem.com/forums/liggght…

@lammpstutorials @LAMMPS_MD @GravelleSimon Neat! Does it integrate with LIGGGHTS at all (which is built on LAMMPS)?

Did you know that LAMMPS comes with a Graphical User Interface ? It's perfect for beginners. You can download precompiled versions here for Linux, MacOS, and Windows : download.lammps.org/testing/ Feel free to provide your feedback to the LAMMPS dev on matsci.org

@AlexanderRKlotz @LAMMPS_MD @GravelleSimon I understand why you feel that way, I think that the main goal of the Matsci forum is for users to report bugs and inconsistencies in the documentations directly to the LAMMPS developers. There are other websites that are better suited to beginners in needs of advises.

@lammpstutorials @LAMMPS_MD @GravelleSimon However, if you look at the LAMMPS matsci help forum, you'll see it has a huge problem with gatekeeping.

Thanks to community support, the LAMMPS tutorials webpage has evolved constantly over the last 3 years with more than 1000 commits. Who knows what it will look like in 3 years? Check out the current version here: lammpstutorials.github.io, or access all previous versions on GitHub.

You can learn how to make similar molecular dynamics simulations of water and PEG polymer following that link : lammpstutorials.github.io/sphinx/build/h…

@LukaszBaran19 @GravelleSimon @LAMMPS_MD Thank you very much for your feedback, you are right, I will update.

@lammpstutorials @GravelleSimon @LAMMPS_MD I would delete "stable" in the description of "minimize" command. It just lowers the energy of the system resulting in a configuration that *can* be stable but does not have to be In the Ensemble example, I'd precede "fix langevin" with that "fix nve" invokes integration alg.

In LAMMPS vernacular, a 'fix' is a command that performs specific tasks during a simulation, such as imposing constraints, applying forces, or modifying particle properties. More LAMMPS vocabulary are defined there : lammpstutorials.github.io/sphinx/build/h… Feel free to suggest any missing word.

Want to boost your efficiency in molecular simulations ? Consider learning some basics of Bash. Bash makes it easy to launch multiples simulations and interact with input files. A quick example was added to LAMMPS tutorials. lammpstutorials.github.io/sphinx/build/h…

@github See progresses here : github.com/lammpstutorials

@github Converting lammpstutorials.github.io into an open ebook !

Working on any fun weekend projects? Share some details or a screenshot 📸

@GravelleSimon @LAMMPS_MD As always, if you have feedback, I am all ears.

The reactive tutorial was updated, with some new exercises: lammpstutorials.github.io/index.html #lammps #tutorial #course #beginners #reaxff

@LAMMPS_MD It was the US (4.7k clicks), followed by China (3.8k), India (1.8k), and Japan (1.2k)

One year of traffic on lammpstutorials.github.io Any guesses on which country tops the visitor list? #WebsiteAnalytics #GuessTheCountry @lammps_md