2. Install LAMMPSΒΆ

You can download LAMMPS as an executable or as source code.

When downloading the LAMMPS source code, you also have to build LAMMPS. But you have more flexibility as to what features to include or exclude in the build. When you download and install pre-compiled LAMMPS executables, you are limited to install which version of LAMMPS is available and which features are included of these builds. If you plan to modify or extend LAMMPS, then you must build LAMMPS from the source code.

Note

If you have questions about the pre-compiled LAMMPS executables, you need to contact the people preparing those executables. The LAMMPS developers have no control over their choices of how they configure and build their packages and when they update them.

These are the files and sub-directories in the LAMMPS distribution:

README

Short description of the LAMMPS package

LICENSE

GNU General Public License (GPL)

SECURITY.md

Security Policy for the LAMMPS package

bench

benchmark problems

cmake

CMake build files

doc

documentation

examples

simple test problems

fortran

Fortran wrapper for LAMMPS

lib

additional provided or external libraries

potentials

interatomic potential files

python

Python wrappers for LAMMPS

src

source files

tools

pre- and post-processing tools

unittest

sources and inputs for testing LAMMPS

You will have all of these if you download source. You will only have some of them if you download executables, as explained on the pages listed above.