[lammps-users] error in pair_dpd_tstat

Hi,

I believe I have found an error in the dpd/tstat pair_style. When I used this thermostat the temperature would blow up after a few timesteps. When I delved into the pair_dpd_tstat.cpp code I found that the riction/damping force was of the wrong sign, i.e.
fpair = gamma[itype][jtype]wdwddotrinv;
(line 121)
changing this to
fpair = -gamma[itype][jtype]wdwddotrinv;
(consistent with definition in the documentation and with pair_dpd.cpp)resulted in the temperature remaining constant.

regards,
David

David,

Looks to me like you are correct. Thank you for pointing this out.

Paul

Yes - I just posted a patch for this - thanks

Steve