[lammps-users] thermo_style---etotal,emol

For reaxff, the data file only has coordinates and charges, and has no topological relationship, so lammps cannot output emol through thermo_style. At this time, whether the output etotal is real. How can I get accurate energy information under reaxff?
I would be very grateful if you can help!
Biao Wu

See the compute pair command and the pair reax/c doc page.
The pair style tallies energy in several different categories and the compute
pair command accesses them, so you can output the results with
the thermo_style command or others.