33 lines
1.5 KiB
ReStructuredText
33 lines
1.5 KiB
ReStructuredText
Dump styles
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===========
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Classes that dump per-atom info to files are derived from the Dump
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class. To dump new quantities or in a new format, a new derived dump
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class can be added, but it is typically simpler to modify the
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DumpCustom class contained in the dump_custom.cpp file.
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Dump_atom.cpp is a simple example of a derived dump class.
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Here is a brief description of methods you define in your new derived
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class. See dump.h for details.
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+---------------+---------------------------------------------------+
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| write_header | write the header section of a snapshot of atoms |
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+---------------+---------------------------------------------------+
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| count | count the number of lines a processor will output |
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+---------------+---------------------------------------------------+
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| pack | pack a proc's output data into a buffer |
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+---------------+---------------------------------------------------+
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| write_data | write a proc's data to a file |
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+---------------+---------------------------------------------------+
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See the :doc:`dump <dump>` command and its *custom* style for a list of
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keywords for atom information that can already be dumped by
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DumpCustom. It includes options to dump per-atom info from Compute
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classes, so adding a new derived Compute class is one way to calculate
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new quantities to dump.
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Note that new keywords for atom properties are not typically
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added to the :doc:`dump custom <dump>` command. Instead they are added
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to the :doc:`compute property/atom <compute_property_atom>` command.
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