LAMMPS tutorial

This is a unofficial LAMMPS tutorial community

Why is LAMMPS?

Open-source; high-effciency; Comprehensive force field; easy to expend

LAMMPS fits?

coarse-grained particles; all-atom polymers, organic molecules, proteins, DNA; granular materials; finite-size spherical and ellipsoidal particles; point dipole particles; rigid collections of particles

# LAMMPS Overview

# What is LAMMPS?

Large-scale Atomic/Molecular Massively Parallel Simulator(aka. LAMMPS) is a classic molecular dynamics software package developed by Sandia National Laboratory of the United States Department of energy and Temple University. The program is developed based on C++, supports mainstream parallel framework, and is open source under GPL protocol.

# LAMMPS feature?

  • runs on a single processor or in parallel
  • spatial-decomposition of simulation domain for parallelism
  • highly portable C++
  • GPU (CUDA and OpenCL), Intel Xeon Phi, and OpenMP support for many code features
  • easy to extend with new features and functionality
  • couple with other codes: LAMMPS calls other code, other code calls LAMMPS

# LAMMPS non-feature?

  • Not be run through a GUI
  • Not build molecular systems, or building molecular topologies
  • Not perform sophisticated analysis of your MD simulation
  • Not visualize your MD simulation interactively
  • Not plot your output data

# Our Goal

Reduce the difficulty for beginners to get started with lammps, so that you can save time on learning software and use it for doing business. Next, we will try our best to update and translate relevant materials. If you have better opinions and suggestions for improvement, or you want to participate and contribute to the domestic community, please go to GitHub to submit the issue, and I will contact you at the first time. Thank you for your participation and use of this website.