Dear lammps users,
I am using a DPD thermostat to thermostat my system (i.e. using pair_style dpd).
Question: Is there a built-in option to keep track of the dissipated energy for this thermostat, i.e., the analogue of the “tally yes” option that exists for the Langevin thermostat? If this option does not exist, any suggestions as to how one could compute it?
Cheers and thanks, Richard Vink
Dear lammps users,
I am using a DPD thermostat to thermostat my system (i.e. using pair_style dpd).
Question: Is there a built-in option to keep track of the dissipated energy for this thermostat, i.e., the analogue of the "tally yes" option that exists for the Langevin thermostat?
if such an option would exist, it would be mentioned in the documentation.
If this option does not exist, any suggestions as to how one could compute it?
you can modify the pair style to fill the data you want, into the
pvector array, so it can be accessed with the compute pair command.
please see the hbond/dreiding/* or airebo or reax/c pair styles for
examples.
axel.