3.18. Variable options — LAMMPS documentation

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# 3.18. Variable options

The `Variable` class computes and stores variable information in LAMMPS; see the file `variable.cpp`. The value associated with a variable can be periodically printed to the screen via the print, fix print, or thermo_style custom commands. Variables of style “equal” can compute complex equations that involve the following types of arguments:

    thermo keywords = ke, vol, atoms, ...
    other variables = v_a, v_myvar, ...
    math functions = div(x,y), mult(x,y), add(x,y), ...
    group functions = mass(group), xcm(group,x), ...
    atom values = x[123], y[3], vx[34], ...
    compute values = c_mytemp[0], c_thermo_press[3], ...

Adding keywords for the thermo_style custom command (which can then be accessed by variables) is discussed in the Modify thermo documentation.

Adding a new math function of one or two arguments can be done by editing one section of the `Variable::evaluate()` method. Search for the word “customize” to find the appropriate location.

Adding a new group function can be done by editing one section of the `Variable::evaluate()` method. Search for the word “customize” to find the appropriate location. You may need to add a new method to the Group class as well (see the `group.cpp` file).

Accessing a new atom-based vector can be done by editing one section of the Variable::evaluate() method. Search for the word “customize” to find the appropriate location.

Adding new compute styles (whose calculated values can then be accessed by variables) is discussed in the Modify compute documentation.