[lammps-users] Hooper

What is a key?


I mean keyword in region command. There is sphere, cylinder, block etc but not geometry like hooper. Please give me some clue so that I can build the hooper.

If you want a different region shape than exists, you'd have to
add one - see doc/Section_modify.html.


Dear LAMMPS users,

I am trying to check the accuracy of my code by calculating the kinetic energy (translational and rotational separately).
I am employing the same set of initial conditions and geometrical parameters for both codes. Also, I am running both codes on the same machine.
The KE values matches upto few time steps and after that both code’s KE values starts deviating marginally.

Is it because of the precision issue or something else?

Please help me in this regard.



If you're comparing the output of 2 codes (LAMMPS and foo)
then it is likely there are small round-off differences, which
will diverge over time. That's the nature of MD and time integration.