Reviewing the DPD potential
In this section, we look at the DPD potential and its implementation via the pair_dpd.cpp and pair_dpd.h classes.
Dissipative Particle Dynamics (DPD) involves a pairwise conservative force coupled with a dissipative force and a stochastic force acting on two particles that are used to represent larger molecules or clusters. The atomistic details of the molecules or clusters are eliminated or minimized by coarse-graining to facilitate simulation over a longer time scale compared to conventional MD. This technique is particularly useful when simulating fluids, where the particles represent molecules or fluid blocks instead of atoms. The dissipative and stochastic forces can be used to model fluid drag forces and collision forces respectively.
When implementing DPD potential, force from the pairwise potential accounts for part of the pairwise force, whereas the dissipative force needs to be calculated using the relative particle velocities and the random...
