574e4067dc
This is the first step for moving the documentation format from *.txt to the *.rst format. In the last years we've been automatically converting txt files from Steve's markup into RST to generate the documentation pages via Sphinx. The decision has now been made to fully migrate to RST and avoid the conversion in the future. This will enable us to fully use RST and Sphinx to improve the documentation. For the intermediate period, while there are still pending PRs with documentation changes, we will keep both source files and update the RST files accordingly.
38 lines
1.6 KiB
ReStructuredText
38 lines
1.6 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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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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