/DPDsim

A dissipative particle dynamics (DPD) project.

Primary LanguagePython

DPDsim

23/06/16

Dissipative particle dynamics simulation of non-bonded particles. Based on [http://dx.doi.org/10.1063/1.474784](Groot, JCP, 1997).

Written in Fortran (pure or via f2py), Python, and Julia. Fortran is about an order of magnitude faster than Python/Numba.

Requirements

  • Python3
  • numpy, numba, docopt

TO DO

  • [L] Add Verlet/neighbour list (as option)
  • [L] Add bonds
  • [M] Add pressure
  • [S] Generalise velocity-Verlet algo