e27ed6c94a
Includes documentation and examples. NOTE: VV requires very small timesteps under isoenergetic conditions. Consider using fix_shardlow instead, since this VV support is primarily for comparison purposes.
13 lines
600 B
Plaintext
13 lines
600 B
Plaintext
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.
|
|
|
|
|
|
|