Luciano Laratelli

Calculating System Dipoles Using LAMMPS


As part of my research in Philadelphia with Matt, we needed to calculate system dipoles using LAMMPS. We were having a lot of trouble using the provided dipole/chunk compute so we went about figuring it out another way instead. This was a pain to do (could not find it anywhere on the internet, probably because everyone else is smart enough to figure out how to use dipole/chunk) so here is how we ended up doing it: