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From: |
Reza Rabbani <rabbani.reza@...16...> |

Date: |
Sat, 30 Sep 2017 17:17:13 +0000 (UTC) |

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

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