Introducing the source code repository
After downloading and unzipping LAMMPS (visit https://lammps.sandia.gov/doc/Install_tarball.html for instructions), the source code can be accessed from the src folder, shown as follows:
Figure 2.2 – A screenshot of the src folder showing .cpp and .h source files in pairs, and a list of packages separated into folders
The source files are mostly arranged in pairs of C++ and header files with the extensions .cpp and .h, respectively, which together are responsible for performing a given role in the simulation.
When a LAMMPS executable is compiled, the source files are built into it, along with any optional package. The folders titled in all uppercase letters in Figure 2.2 contain optional packages that can be built into the LAMMPS executable if specified. Once compiled successfully, the executable is capable of recognizing LAMMPS input script commands and calling the appropriate source code files that have been...
