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angle_style cosine/shift command

Syntax:

angle_style cosine/shift 

Examples:

angle_style cosine/shift
angle_coeff * 10.0 45.0 

Description:

The cosine/shift angle style uses the potential

where theta0 is the equilibrium angle. The potential is bounded between -Umin and zero. In the neighborhood of the minimum E=- Umin + Umin/4(theta-theta0)^2 hence the spring constant is umin/2.

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:

Restrictions:

This angle style can only be used if LAMMPS was built with the USER-MISC package. See the Making LAMMPS section for more info on packages.

Related commands:

angle_coeff, angle_cosineshiftexp

Default: none