LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a molecular dynamics simulation software package that is designed to simulate the behavior of molecules and materials under various conditions. It is a flexible and powerful tool that is widely used in scientific research and engineering applications.
LAMMPS is developed and maintained by Sandia National Laboratories, with the support of a global community of users and developers. It is an open-source software package, released under the terms of the GNU Public License (GPL).
LAMMPS is written in C++ and can run on a wide range of platforms, including Linux, macOS, and Windows. It can be run in parallel on multiple processors or on high-performance computing (HPC) clusters, using the Message Passing Interface (MPI) library.
LAMMPS is a highly modular software package, with a wide range of built-in features and capabilities. It can simulate a variety of physical systems, including atomic and molecular systems, granular materials, liquids, solids, and materials under extreme conditions. It can also be extended and customized through the use of user-defined potentials and force fields. LAMMPS is widely used in many fields, including materials science, chemistry, physics, biology, and engineering. It is a valuable tool for studying the properties and behavior of materials and molecules under various conditions, as well as for designing and optimizing materials and processes.
To install LAMMPS on Ubuntu, you will need to have the necessary dependencies and libraries installed on your system, including a C++ compiler, the MPI library, and the Python development headers.
Uninstalling lammps package from Ubuntu
You can uninstall lammps package itself from Ubuntuthrough the terminal:
$ sudo apt-get remove lammps
Uninstall lammps including dependent package
If you would like to remove lammps and it’s dependent packages which are no longer needed, use the below command to remove the lammps package:
$ sudo apt-get remove --auto-remove lammps
Use Purging lammps
If you use with purge options to lammps package all the configuration and dependent packages will be removed.
$ sudo apt-get purge lammps
If you use purge options along with auto remove, will be removed everything regarding the package, It’s really useful when you want to reinstall again.
$ sudo apt-get purge --auto-remove lammps