Dear my friends
Actually, I want to calculate the pressure distribution in gas that is between two parallel plates. Since the “compute pressure command” gives a mean pressure for all system, I have used “compute stress/atom command” along with “compute chunk/atom command” so the pressure in each bin is calculated.
In the input file, I have written like this for calculating the pressure:
compute p flow stress/atom NULL
then
fix 1 flow ave/chunk 1 10000 10000 cc1 c_p[1] c_p[2] c_p[3] c_p[4] c_p[5] c_p[6] file Pressure.txt ave running
Finally, I got this as the output: (for brevity, only for one the bins is written here)
6 29.7 42.449 -40164.7 -40738.9 -40770.7 -32.0077 28.5133 -5.2131
Actually, I want to calculate the pressure based on that, how can I do it?
In fact, in the LAMMPS User’s Manual, there is one example that calculates the pressure for the whole volume not for each bin. How can I calculate the pressure for each bin?
Actually, my LAMMPS calculation was based on real unit and I just want to know how to convert it to the SI unit?
I would be really grateful if anybody can help me
Best Regards,
Reza