Dump styles =========== 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 | +---------------+---------------------------------------------------+ See the :doc:`dump ` 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 :doc:`dump custom ` command. Instead they are added to the :doc:`compute property/atom ` command.