|From:||Reza Rabbani <rabbani.reza@...16...>|
|Date:||Sat, 30 Sep 2017 17:17:13 +0000 (UTC)|
Dear my friends
In the input file, I have written like this for calculating the pressure:
compute p flow stress/atom NULL
fix 1 flow ave/chunk 1 10000 10000 cc1 c_p c_p c_p c_p c_p c_p 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