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LAMMPS tutorials for both beginners and advanced users

Home Page: https://lammpstutorials.github.io/

License: GNU General Public License v3.0

lammps molecular-dynamics molecular-dynamics-simulation monte-carlo-simulation lammps-tutorials lammps-script course step-by-step tutorial beginner

lammpstutorials.github.io's Introduction

LAMMPS tutorials

Material and guides for beginner LAMMPS users. The main website can be accessed from this page, and the functions used for the Matplotlib graphs are available here.

Figure: (left) Lennard-Jones fluid mixture (middle) Carbon nanotube (right) Water molecules in a cracked silica

Find all the inputs

The LAMMPS inputs are provided in a dedicated repository, together with the data files, scripts, and parameter files.

Download the living ebook

LAMMPS tutorials also exists as a free and open living ebook, a LaTeX document that is compiled directly from the website.

Author

Simon Gravelle from LiPhy, UGA, CNRS, France.

lammpstutorials.github.io's People

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wu2jing undergroundmaker pauliwu aichemist001 fermiq physicshinzui aashutosh-singal juancarlosllaitul sameeeek ppguyz computational-nanomaterials-lab ved-22 lynn9797 cyrilwu6 17393182543 ftry vzordillo louzaizhen hitergelei

lammpstutorials.github.io's Issues

Suggestion: list lammps package dependencies

I'm walking through your tutorials on an Arch Linux machine and I have to rebuild lammps every time I discover a new package is needed after running the input. It's not that much of a deal but my machine is quite slow. I would suggest to list all packages needed by the full walkthrough and the specific packages needed by each tutorial before the introduction paragraph to let their independence unaffected.

If you don't have such handy list I will be happy to contribute once I get to the end.

As a side note, I love these tutorials, thanks!

Wrong pressure tuto 3

The system is equilibrated at 0 pressure, not 1 atm as said

Outdated delete_atoms command

Issue raised by Alireza Nazarahari: delete_atoms atom command in tutorial 2 must be updated to :

delete_atoms random fraction 0.5 no all membrane 482793

Specify origine parameters

Specify clearly in each tutorial from where the parameters are taken from.

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