How to write total potential energy to dump file?

LAMMPS LAMMPS Beginners
1

I use

dump mydmp all custom 1000 dump.md.lammpstrj id type x y z fx fy fz

To get a dump file that looks like

ITEM: TIMESTEP
0
ITEM: NUMBER OF ATOMS
1150
ITEM: BOX BOUNDS pp pp pp
-2.0000000000000000e+01 2.0000000000000000e+01
-2.0000000000000000e+01 2.0000000000000000e+01
-2.0000000000000000e+01 2.0000000000000000e+01
ITEM: ATOMS id type x y z fx fy fz
970 1 4.46152 -19.8825 -19.4972 75.0494 -51.9012 106.525
798 1 1.07741 -17.5784 -19.3535 -18.5085 -58.8937 -37.7941
...

I would like to include the total energy of the system (i.e. pe as can printed to the terminal by thermo) in the dump file, to get something like

ITEM: TIMESTEP
0
ITEM: POTENTIAL ENERGY <-------------------- new
1234.5678
ITEM: NUMBER OF ATOMS
1150
ITEM: BOX BOUNDS pp pp pp
-2.0000000000000000e+01 2.0000000000000000e+01
-2.0000000000000000e+01 2.0000000000000000e+01
-2.0000000000000000e+01 2.0000000000000000e+01
ITEM: ATOMS id type x y z fx fy fz
970 1 4.46152 -19.8825 -19.4972 75.0494 -51.9012 106.525
798 1 1.07741 -17.5784 -19.3535 -18.5085 -58.8937 -37.7941
...

I feel like this is a very basic use case, but from the documentation I only understand how to write per-atom properties with dump and system properties with other commands to different files…

2

The native dump file format in LAMMPS does not allow such global output. This is intended to be output in the log file via thermo_style custom or with fix print.

There are, however, two exceptions: the netcdf dump style and the yaml dump style.

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