Change Temperature and Pressure

LAMMPS LAMMPS Mailing List Mirror
1



dear Steve,
thank you very much for your answered.
Now, I know how to change the temperature.
but,I still don’t understand how to change the pressure. I converted the pressure § to P* (Psigma^3/epsilon). but I don’t know the correlation P to the input script.



thank you very much
best regards
dzul



Sent from Yahoo! Mail on Android

|

2

You control the pressure by adjusting the system volume,
which is what a barostat does. See the fix npt or
fix press/berendsen comands for examples.

Steve

3

Hi,
      Is there a fix or command to write the potential and kinetic energy of each atom at the end of the simulation?

Thanks
Priyank

4

See the compute ke/atom and compute pe/atom
commands.

Steve

5

Thanks. it worked.