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lammpstutorials-inputs'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-inputs's People

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sakibmatin

lammpstutorials-inputs's Issues

Feedback

Very nice tutorial. I went through the polymer in water tutorial. I wasn't able to run the first part as I don't think the create_atoms overlap/maxtry arguments were introduced until 2022 and I have a pre-installed 2018 version. With your intermediate results included, I was able to continue.

At the very end (https://lammpstutorials.github.io/sphinx/build/html/tutorials/level2/polymer-in-water.html):
fix myaf1 oxygen_end1 addforce ${f0} 0 0
fix myaf2 oxygen_end2 addforce -${f0} 0 0
Should be topull1/2, I think.

If I could make a suggestion, the front page has three images and gives the impression these are the only three tutorials while actually you have more, also you can only see what the tutorials are by hovering over the picture, so people might not realise you have a tutorial relevant to them. Perhaps you could change this.

Errors for 'Illegal delete_atoms command‘

Hi guys,

Thank you for this very nice tutorials.

I have encountered an error when I follow Pulling on a carbon nanotube.
The command delete_atoms random fraction 0.02 no rdel NULL 482793 bond yes always reported ERROR: Illegal delete_atoms command (src/delete_atoms.cpp:73)

Could you help resolve it?

Best,
Huang

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