28 lines
1.3 KiB
ReStructuredText
28 lines
1.3 KiB
ReStructuredText
Thermodynamic output options
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============================
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There is one class that computes and prints thermodynamic information
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to the screen and log file; see the file thermo.cpp.
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There are two styles defined in thermo.cpp: "one" and "multi". There
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is also a flexible "custom" style which allows the user to explicitly
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list keywords for quantities to print when thermodynamic info is
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output. See the :doc:`thermo_style <thermo_style>` command for a list
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of defined quantities.
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The thermo styles (one, multi, etc) are simply lists of keywords.
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Adding a new style thus only requires defining a new list of keywords.
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Search for the word "customize" with references to "thermo style" in
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thermo.cpp to see the two locations where code will need to be added.
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New keywords can also be added to thermo.cpp to compute new quantities
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for output. Search for the word "customize" with references to
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"keyword" in thermo.cpp to see the several locations where code will
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need to be added.
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Note that the :doc:`thermo_style custom <thermo_style>` command already allows
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for thermo output of quantities calculated by :doc:`fixes <fix>`,
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:doc:`computes <compute>`, and :doc:`variables <variable>`. Thus, it may
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be simpler to compute what you wish via one of those constructs, than
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by adding a new keyword to the thermo command.
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