Dear Lammps Users,
May I ask a basic question: How can we measure the power of nvt heat bath? I can’t find the example of doing this. I know that langevin can directly output the cumulative energy. But for nvt I just find these two terms in output info:
PE_eta[tchain] = potential energy of each particle thermostat displacement (energy units)
KE_eta_dot[tchain] = kinetic energy of each particle thermostat velocity (energy units)
I don’t know if the sum of them will make the total energy or say the power?
Any suggestion will be appreciated.
Thanks
Qingchang
Dear Lammps Users,
May I ask a basic question: How can we measure the power of nvt heat bath? I
can't find the example of doing this. I know that langevin can directly
output the cumulative energy. But for nvt I just find these two terms in
output info:
PE_eta[tchain] = potential energy of each particle thermostat displacement
(energy units)
KE_eta_dot[tchain] = kinetic energy of each particle thermostat velocity
(energy units)
I don't know if the sum of them will make the total energy or say the power?
why so complicated? if you just access the global scalar provided by
the fix, you have directly the accumulated energy differential due to
the thermostat/barostat.
please reread the documentation.
axel.