Hi there,
I found an interesting thing with the thermo output of pressure with custom style.
When I use the following command to output thermo properties:
thermo_style custom step temp pe ke enthalpy press pxy pxz pyz
The result for “pressure” is actual zero, instead of (pxx+pyy+pzz)/3. And if I use:
thermo_style custom step temp pe ke enthalpy pxy pxz pyz press
all the pressure components are zero; but if I use just:
thermo_style custom step temp pe ke enthalpy pxy pxz pyz
there seems to be no problem.
Attached are the script to run the job and the configuration file.
Thanks.
data.pos (259 KB)
in.LJ2D (1.48 KB)