"Higher level section"_Modify.html - "LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c :link(lws,http://lammps.sandia.gov) :link(ld,Manual.html) :link(lc,Commands_all.html) :line Variable options :h3 There is one class that computes and stores "variable"_variable.html information in LAMMPS; see the file variable.cpp. The value associated with a variable can be periodically printed to the screen via the "print"_print.html, "fix print"_fix_print.html, or "thermo_style custom"_thermo_style.html 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\[3\], ... :pre Adding keywords for the "thermo_style custom"_thermo_style.html command (which can then be accessed by variables) is discussed on the "Modify thermo"_Modify_thermo.html doc page. 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"_compute.html (whose calculated values can then be accessed by variables) is discussed on the "Modify compute"_Modify_compute.html doc page.