forked from lijiext/lammps
47 lines
1.8 KiB
Plaintext
47 lines
1.8 KiB
Plaintext
"Higher level section"_Modify.html - "LAMMPS WWW Site"_lws - "LAMMPS
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Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Commands_all.html)
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:line
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Variable options :h3
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There is one class that computes and stores "variable"_variable.html
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information in LAMMPS; see the file variable.cpp. The value
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associated with a variable can be periodically printed to the screen
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via the "print"_print.html, "fix print"_fix_print.html, or
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"thermo_style custom"_thermo_style.html commands. Variables of style
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"equal" can compute complex equations that involve the following types
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of arguments:
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thermo keywords = ke, vol, atoms, ...
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other variables = v_a, v_myvar, ...
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math functions = div(x,y), mult(x,y), add(x,y), ...
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group functions = mass(group), xcm(group,x), ...
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atom values = x\[123\], y\[3\], vx\[34\], ...
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compute values = c_mytemp\[0\], c_thermo_press\[3\], ... :pre
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Adding keywords for the "thermo_style custom"_thermo_style.html
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command (which can then be accessed by variables) is discussed on the
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"Modify thermo"_Modify_thermo.html doc page.
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Adding a new math function of one or two arguments can be done by
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editing one section of the Variable::evaluate() method. Search for
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the word "customize" to find the appropriate location.
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Adding a new group function can be done by editing one section of the
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Variable::evaluate() method. Search for the word "customize" to find
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the appropriate location. You may need to add a new method to the
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Group class as well (see the group.cpp file).
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Accessing a new atom-based vector can be done by editing one section
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of the Variable::evaluate() method. Search for the word "customize"
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to find the appropriate location.
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Adding new "compute styles"_compute.html (whose calculated values can
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then be accessed by variables) is discussed on the "Modify
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compute"_Modify_compute.html doc page.
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