LAMMPS

Project website: https://lammps.sandia.gov/

LAMMPS Documentation is available here: https://lammps.sandia.gov/doc/Manual.html

Example:

[ktm5j@portal01] ~$ module whatis lammps
------------------------ /sw/centos/Modules/modulefiles ------------------------
              lammps: Sets the environment for using LAMMPS
LAMMPS is a classical molecular dynamics code with a focus on materials modeling. It's an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.
[ktm5j@portal01] ~$ module load lammps
[ktm5j@portal01] ~$ which lmp
/sw/centos/lammps/current/bin/lmp