Files
lammps/examples/PACKAGES/dpd-react
2021-06-29 20:25:18 -04:00
..
2021-06-29 20:25:18 -04:00
2021-06-29 20:25:18 -04:00
2021-06-29 20:25:18 -04:00
2021-06-29 20:25:18 -04:00
2021-06-29 20:25:18 -04:00

This directory contains input files for DPD simulations under
isothermal, isoenergetic, isobaric and isoenthalpic conditions.  In
addition, there is also an example for a reaction DPD simulation under
isoenergetic conditions.  All the DPD scenarios that are named with 
*-shardlow use the Shardlow splitting algorithm to integrate the 
equations of motion.  All the DPD scenarious that are named with  
*-vv utilize the velocity-Verlet integration scheme.  The compute dpd 
command is used in the isoenergetic and isenthalpic case to
demonstrate how one can access the particle internal energies.