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angle_style harmonic command

Syntax:

angle_style harmonic 

Examples:

angle_style harmonic
angle_coeff 1 300.0 107.0 

Description:

The harmonic angle style uses the potential

where theta0 is the equilibrium value of the angle, and K is a prefactor. Note that the usual 1/2 factor is included in K.

The following coefficients must be defined for each angle type via the angle_coeff command as in the example above, or in the data file or restart files read by the read_data or read_restart commands:

Theta0 is specified in degrees, but LAMMPS converts it to radians internally; hence the units of K are in energy/radian^2.

Restrictions:

Angle styles can only be set for atom styles that allow angles to be defined.

This angle style is part of the "molecular" package. It is only enabled if LAMMPS was built with that package. See the Making LAMMPS section for more info.

Related commands:

angle_coeff

Default: none