This package implements three extensions of the dissipative particle dynamics (DPD) method, i.e., energy-conserving DPD (eDPD) that can model non-isothermal processes, many-body DPD (mDPD) for simulating vapor-liquid coexistence, and transport DPD (tDPD) for modeling advection-diffuion-reaction systems. The equations of motion of these DPD extensions are integrated through the modified velocity-Verlet (MVV) algorithm.

Currently, the package has the following features:

• Three new atom styles (eDPD, mDPD, tDPD) for tracking the particles with internal temperature, local mass density, and chemical concentration.

• Three set commands (edpd/temp, edpd/cv, cc) for setting internal temperature (edpd/temp) and heat capacity (edpd/cv) for eDPD particles and for setting chemical concentration (cc) for tDPD particles.

• Two compute commands (edpd/temp/atom, tdpd/cc/atom) for accessing the internal temperature of eDPD particles and the chemical concentration of tDPD particles.

• Three fix commands (mvv/dpd, mvv/edpd, mvv/tdpd) for integrating the shochastic ODEs using the modified velocity-Verlet (MVV) algorithm.

• Two fix commands (edpd/source, tdpd/source) for adding additional heat source/sink or chemical concentration source/sink to eDPD and tDPD particles.

• One pair style (edpd) for modeling a eDPD fluid.

• Two pair styles (mdpd/rhosum, mdpd) for modeling a mDPD fluid.

• One pair style (tdpd) for modeling a tDPD fluid.

See the doc pages for "atom style edpd", "atom style mdpd", "atom style tdpd", "set edpd/temp", "set edpd/cv", "set tdpd/cc", "compute edpd/temp/atom", "compute tdpd/cc/atom", "fix mvv/dpd", "fix mvv/edpd", "fix mvv/tdpd", "fix edpd/source", "fix tdpd/source", "pair edpd", "pair mdpd/rhosum", "pair mdpd", "pair tdpd" commands to get started. At the bottom of the doc pages are many links to additional documentation contained in the doc/USER/meso directory.

There are example scripts for using this package in examples/USER/meso.

The person who created this package is Zhen Li (zhen_li at brown.edu) at Division of Applied Mathematics, Brown University, USA. Contact him directly if you have questions.