lammps/doc/txt/Modify_dump.txt

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"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.