LAMMPS tutorials

Tutorials for @lammps_md beginners and advanced users. Written by @GravelleSimon.

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[LAMMPS tutorials @lammpstutorials]

The LAMMPS tutorials initiative is now a @GitHub organization ! You can follow it here : https://t.co/DFbFI3zbsb In the future, the organization plans to welcome more members to ensure better maintenance and continuity. The website is still visible here : https://t.co/ItQHVzRVQG

[LAMMPS tutorials @lammpstutorials]

On the side note, this is the last communication done here. Future communication will take place here : https://t.co/5trcvraSPP

[LAMMPS tutorials @lammpstutorials]

The LAMMPStutorials are now available as an article [🔗 https://t.co/qInZqXQKIg]

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

[LAMMPS tutorials @lammpstutorials]

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: https://t.co/DFbFI3zbsb

[LAMMPS tutorials @lammpstutorials]

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

[Simon Gravelle @GravelleSimon]

We combined active machine learning and molecular simulations and discovered two novel stable quaternary phases for Cu-Ni-Si-Cr alloys : https://t.co/llakLrln9q -- Collaboration with Ángel Díaz Carral (@ICP_Stuttgart) and Maria Fyta (@RWTH)

[LAMMPS tutorials @lammpstutorials]

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: https://t.co/YtvdEp40gq

[LAMMPS tutorials @lammpstutorials]

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.

[Simon Gravelle @GravelleSimon]

Interested in performing grand canonical Monte Carlo (GCMC) simulations to measure adsorption in porous materials? Consider using the highly efficient GOMC parallel code. Check out some inputs I've shared: https://t.co/sKiKt7ChTv

[LAMMPS tutorials @lammpstutorials]

@peterfalkingham @LAMMPS_MD @GravelleSimon I doubt it, but it seems that LIGGGHTS has a GUI of its own: https://t.co/uMz7xpE0zP

[LAMMPS tutorials @lammpstutorials]

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 : https://t.co/VebgAu9XOR Feel free to provide your feedback to the LAMMPS dev on https://t.co/Fim9c89DKo

[LAMMPS tutorials @lammpstutorials]

@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.

[LAMMPS tutorials @lammpstutorials]

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: https://t.co/ItQHVzStGe, or access all previous versions on GitHub.

[LAMMPS tutorials @lammpstutorials]

You can learn how to make similar molecular dynamics simulations of water and PEG polymer following that link : https://t.co/q9V180fHHm

[Simon Gravelle @GravelleSimon]

I love the dance of water molecules in a polymer. See the video here and find the LAMMPS, Python, and VMD scripts shared on Github https://t.co/xtVZQAT0IH #molecules #polymer

[LAMMPS tutorials @lammpstutorials]

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

[LAMMPS tutorials @lammpstutorials]

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 : https://t.co/FrtleN3YWw Feel free to suggest any missing word.

[LAMMPS tutorials @lammpstutorials]

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.

https://t.co/ctR0N2xSxo

[LAMMPS tutorials @lammpstutorials]

@github See progresses here : https://t.co/DFbFI3zbsb

[LAMMPS tutorials @lammpstutorials]

@github Converting https://t.co/ItQHVzRVQG into an open ebook !

[LAMMPS tutorials @lammpstutorials]

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

[LAMMPS tutorials @lammpstutorials]

The reactive tutorial was updated, with some new exercises: https://t.co/hELJeqCqhu #lammps #tutorial #course #beginners #reaxff

[LAMMPS tutorials @lammpstutorials]

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

[LAMMPS tutorials @lammpstutorials]

One year of traffic on https://t.co/KK3ncacXVH Any guesses on which country tops the visitor list? #WebsiteAnalytics #GuessTheCountry @lammps_md