forked from lijiext/lammps
36 lines
1.3 KiB
Plaintext
36 lines
1.3 KiB
Plaintext
"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.
|