Chapter 9: Modifying Pair Potentials
In the previous chapters, we discussed various classes that implement MD features and LAMMPS tools, such as pair styles, fixes, computes, variables, and groups. From this chapter onward, we will write custom features into LAMMPS, starting with custom pair potentials.
In this chapter, we will construct custom pair potentials to describe the process of writing and incorporating them in a LAMMPS input script. In the process, we will use the content covered in the previous chapters to program LAMMPS according to our requirements.
We will cover the following pair potentials in this chapter:
- Writing a harmonic potential
- Writing a height-dependent pair potential
- Writing a tangential friction-based pair style for spherical atoms
By the end of this chapter, you will have learned how to write your own pair styles and how to connect information from previous chapters to custom pair styles.
