[lammps-users] about command compute


If I have compute 1 lower group/group upper then I want to output the result of compute 1
using thermo_style custom step atoms c_1

Command compute calculates the total energy and force interaction between two groups of atoms: the compute group and the specified group2.

How do I know this c_1 is the energy or the force?



This compute produces both a scalar (energy) and a 3-vector (force).
In thermo_style, c_1 will access the scalar, c_1[n] will acccess a vector
component. n = 1,2,3.