lammps/examples/USER/dpdd1bbe9546c02lammm-devel
lammps/examples/USER/dpd
d1bbe9546c02lammm-devel
dpd
dpd
README
README
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.
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