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Lammps
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What is LAMMPS?
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LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is an open-source molecular dynamics (MD) simulation software widely used for simulating the physical movements of atoms and molecules over time. Developed by Sandia National Laboratories, LAMMPS is designed to handle large-scale simulations using parallel computing, making it suitable for high-performance computing environments. It supports simulations of a variety of materials, including solids, liquids, gases, and complex molecular systems.

Key Features:

	1.	Molecular Dynamics: LAMMPS excels at simulating particle interactions over time, allowing users to study the behavior of materials at the atomic scale.
	2.	Broad Material Support: It can simulate metals, polymers, biomolecules, granular materials, and more, providing flexibility for diverse research fields.
	3.	Parallelization: LAMMPS is optimized for parallel computing, making it capable of efficiently running large-scale simulations on supercomputers and clusters.
	4.	Flexible Force Fields: It supports a wide range of force fields (potentials), which describe interactions between particles, enabling realistic simulations of material properties.
	5.	Customizability: LAMMPS allows users to define custom atom types, molecular topologies, and interactions, making it adaptable to various research problems.

Common Applications:

	•	Materials Science: Studying phase transitions, deformation, and mechanical properties of materials.
	•	Biophysics: Simulating biomolecular structures like proteins and DNA.
	•	Nanotechnology: Modeling nanoscale materials like graphene or nanocomposites.
	•	Soft Matter: Exploring polymers, colloids, and other soft materials.

Advantages:

	1.	Scalability: LAMMPS is highly scalable, allowing simulations of millions to billions of atoms across large, distributed systems.
	2.	Modularity: It is modular, with a large library of built-in potentials, and supports user-developed extensions or modifications.
	3.	Active Community: The LAMMPS user base is large, with ongoing development and support, providing a wealth of resources for troubleshooting and expanding functionality.

Disadvantages:

	1.	Learning Curve: As with most molecular dynamics tools, LAMMPS has a steep learning curve, especially for users new to molecular dynamics or parallel computing.
	2.	Specialized Use: LAMMPS is focused on atomistic and molecular simulations, so it may not be ideal for users who need broader simulation capabilities, like continuum mechanics or quantum simulations.

LAMMPS is a versatile, high-performance tool for simulating atomic and molecular systems. Its scalability and flexibility make it a popular choice for researchers in materials science, nanotechnology, and biophysics, although it requires expertise to use effectively.


Lammps - Input
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Lammps - Tools
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Lammps - Tutorials
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Some more advance video tutorials are available at 

`ARCHER2 Introduction to LAMMPS Session 1 <https://youtu.be/LuUYmqYDb6U?si=TzMQvAAtUdCtC5YP>`_
`ARCHER2 Introduction to LAMMPS Session 2 <https://youtu.be/XsHGsS0JMr4?si=F4198L25jjrLK22Y>`_