Dear all
A simple question. I am a bit confused as to whether "thermo_style custom etotal "will print out the intensive total energy (sum of (ke + pe)/natoms) or just the sum of ke+pe?
It seems like it is printing out the former one.
I read the documentation (it says it creates a compute as if it is initialized and the in the documentation of compute pe, it says it is extensive.)
Please disregard the below part if is intensive. I just created a small code to check this. It gave intensive values (which i cross checked by hand).
Thanks in advance
Vaidyanathan M S
Dept of Chemical Engineering
UT Austin
coord.0.txt (1.84 KB)
check.lmp (789 Bytes)
data.dpd (910 Bytes)