Modify_dump.txt

"Higher level section"_Modify.html - "LAMMPS WWW Site"_lws - "LAMMPS
Documentation"_ld - "LAMMPS Commands"_lc :c

:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Commands_all.html)

:line

Dump styles :h3

Classes that dump per-atom info to files are derived from the Dump
class.  To dump new quantities or in a new format, a new derived dump
class can be added, but it is typically simpler to modify the
DumpCustom class contained in the dump_custom.cpp file.

Dump_atom.cpp is a simple example of a derived dump class.

Here is a brief description of methods you define in your new derived
class.  See dump.h for details.

write_header: write the header section of a snapshot of atoms
count: count the number of lines a processor will output
pack: pack a proc's output data into a buffer
write_data: write a proc's data to a file :tb(s=:)

See the "dump"_dump.html command and its {custom} style for a list of
keywords for atom information that can already be dumped by
DumpCustom.  It includes options to dump per-atom info from Compute
classes, so adding a new derived Compute class is one way to calculate
new quantities to dump.

Note that new keywords for atom properties are not typically
added to the "dump custom"_dump.html command.  Instead they are added
to the "compute property/atom"_compute_property_atom.html command.