Hi all,
Dump file (atom.*.lj) has all the data in dimensionless unit, including mass, velocity, regular coordinates, and force on each atom.
atom.*.lj can be generated by running in.job.
Pressue_LJ.pdf shows the dimensionless pressure computation formula.
I believe I may make some mistake somewhere, but I failed to find it after trying for one week… Pls help.
Thanks for attention.
Pressure_LJ.pdf (74 KB)
in.job (775 Bytes)