mydpd
Dissipative Particle Dynamics (DPD) model consists of a set of N particles moving in continuous space. Each particle is defined by its position,momentum and mass m. The dynamics is specified by a set of Langevin equations very similar to the molecular dynamics equations, but where in addition to the conservative forces there are dissipative and fluctuating forces as well. This model is the natural extension of the Brownian dynamics (BD) method widely used in molecular simulations. BD particles interact conserving only mass, while DPD conserves mass and momentum reproducing at larger scales not just the diffusive behavior but also hydrodynamics.
mydpd is a C++ mesodynamics code with periodic boundary conditions in three spatial dimensions, where DPD stands for dissipative particle dynamics. This code is realised under the GPL license, is simple, serial but functional. It contains two integrators for the DPD stochastic equations, a simple DPD velocity Verlet and the stochastic Trotter integrator "DPD-Trotter" derived in the article:
G. De Fabritiis, M. Serrano, P. Espanol and P.V. Coveney, Efficient numerical integrators for stochastic models, Physica A 361, 429 (2005). pdf
M. Serrano, G. De Fabritiis, P. Espanol and P. V. Coveney, A stochastic Trotter integration scheme for dissipative particle dynamics, Math. Comput. Simul. 72, 190 (2006).pdf
@ARTICLE {defabritiis05A,
authors = " G. {De Fabritiis} and M. Serrano and P. Espa{\~{n}}ol and P.V. Coveney",
title = "Efficient numerical integrators for stochastic models",
year = "2006",
journal = "Physica A",
volume = "361",
pages = "429"
}Please cite the reference above if you publish a scientific work using this code or if you found this code useful.
If you have to report a bug write me an email.
Download
myDPD Source code mydpd.1.0.4.tgz(by downloading this file you are accepting the GPL License.