# angle_style cross command ## Syntax ``` LAMMPS angle_style cross ``` ## Examples ``` LAMMPS angle_style cross angle_coeff 1 200.0 100.0 100.0 1.25 1.25 107.0 ``` ## Description The *cross* angle style uses a potential that couples the bond stretches of a bend with the angle stretch of that bend: $$E = K_{SS} \left(r_{12}-r_{12,0}\right)\left(r_{32}-r_{32,0}\right) + K_{BS0}\left(r_{12}-r_{12,0}\right)\left(\theta-\theta_0\right) + K_{BS1}\left(r_{32}-r_{32,0}\right)\left(\theta-\theta_0\right)$$ where $r_{12,0}$ is the rest value of the bond length between atom 1 and 2, $r_{32,0}$ is the rest value of the bond length between atom 3 and 2, and $\theta_0$ is the rest value of the angle. $K_{SS}$ is the force constant of the bond stretch-bond stretch term and $K_{BS0}$ and $K_{BS1}$ are the force constants of the bond stretch-angle stretch terms. The following coefficients must be defined for each angle type via the [angle_coeff](angle_coeff) command as in the example above, or in the data file or restart files read by the [read_data](read_data) or [read_restart](read_restart) commands: - $K_{SS}$ (energy/distance\^2) - $K_{BS0}$ (energy/distance) - $K_{BS1}$ (energy/distance) - $r_{12,0}$ (distance) - $r_{32,0}$ (distance) - $\theta_0$ (degrees) $\theta_0$ is specified in degrees, but LAMMPS converts it to radians internally; hence the $K_{BS0}$ and $K_{BS1}$ are effectively energy/distance per radian. ## Restrictions This angle style can only be used if LAMMPS was built with the YAFF package. See the [Build package](Build_package) doc page for more info. ## Related commands [angle_coeff](angle_coeff) ## Default none